SCHEMBL2186109

SCHEMBL2186109

C=CCC(=O)N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
CHKA P35790 1/20 0.42
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB3 Q05901 1/20 0.41
CHRNA6 Q15825 1/20 0.41
TPSAB1 Q15661 1/20 0.40
TPSD1 Q9BZJ3 1/20 0.40
TPSG1 Q9NRR2 1/20 0.40
HSD11B1 P28845 1/20 0.39
SIGMAR1 Q99720 1/20 0.36
EPHX2 P34913 2/20 0.36
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28191935 0.93 CA2 (0.46) CA2CA12CA1CA9CHKA
Piperazine SCHEMBL28191934 0.91 CA2 (0.44) CA2CA12CA1CA9CHKA
SCHEMBL31011078 0.84
SCHEMBL30455653 0.81 CA2 (0.45) CA2CA12CA1CA9CHKA
SCHEMBL2184936 0.80 ATM (0.50) POLBKMT2AGAA
SCHEMBL7364504 0.80 CA2 (0.41) CA2CA12CA1CA9CHKA
SCHEMBL7364501 0.80 CA2 (0.41) CA2CA12CA1CA9CHKA
SCHEMBL3898267 0.79 CA2 (0.43) CA2CA12CA1CA9CHKA
SCHEMBL9737097 0.79 CA2 (0.39) CA2CA12CA1CA9CHKA
SCHEMBL5315426 0.78 ATM (0.48) KMT2AGAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 68 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531655-A N aromatic alkyl carbonyls piperazine and N aromatic alkyl carbonyl homopiperazine compounds and include their personal care composition 荷兰联合利华有限公司 2018-01-02 CN claimed
EP-2076503-B1 C-PHENYL GLYCITOL COMPOUND FOR THE TREATMENT OF DIABETES TAISHO PHARMACEUTICAL CO LTD (JP) 2013-07-17 EP claimed
EP-2346507-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES Boehringer Ingelheim International GmbH (DE) 2011-07-27 EP claimed
US-7973012-B2 C-phenyl glycitol compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-07-05 US claimed
WO-2010026029-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO claimed
US-20100022460-A1 C-PHENYL GLYCITOL COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-01-28 US claimed
EP-2076503-A2 C-PHENYL GLYCITOL COMPOUND FOR THE TREATMENT OF DIABETES TAISHO PHARMACEUTICAL CO., LTD (JP) 2009-07-08 EP claimed
EP-1572686-B1 ANTHRANILIC ACID AMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE NOVARTIS AG (CH) 2009-04-15 EP claimed
WO-2007136116-A2 C-PHENYL GLYCITOL COMPOUND FOR THE TREATMENT OF DIABETES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-11-29 WO claimed
WO-2006089871-A2 DIPHENYLUREA DERIVATIVES USEFUL AS ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS NEUROSEARCH A/S (DK) 2006-08-31 WO claimed
US-20060128684-A1 Anthranilic acid amide derivatives and their pharmaceutical use BOLD GUIDO 2006-06-15 US claimed
EP-1572686-A1 ANTHRANILIC ACID AMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE Novartis AG (CH) 2005-09-14 EP claimed
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP claimed
WO-2004052884-A1 ANTHRANILIC ACID AMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE NOVARTIS AG (CH) 2004-06-24 WO claimed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US claimed
EP-0937048-A1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ZENECA LIMITED (GB) 1999-08-25 EP claimed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP claimed
WO-1998021188-A1 HETEROCYCLE DERIVATIVES WHICH INHIBIT FACTOR Xa ZENECA LIMITED (GB) 1998-05-22 WO claimed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO claimed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT VORONOIBIO INC. (KR) 2023-06-15 US disclosed
CN-109553641-B Novel pincer-like metal complex and application thereof 中国科学院上海有机化学研究所 2023-05-12 CN disclosed
EP-3915986-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT Voronoi Inc. (KR) 2021-12-01 EP disclosed
WO-2020185044-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT 주식회사 보로노이 2020-09-17 WO disclosed
CN-109553641-A Novel pincer metal complex and its application 中国科学院上海有机化学研究所 2019-04-02 CN disclosed
CN-107531655-A N aromatic alkyl carbonyls piperazine and N aromatic alkyl carbonyl homopiperazine compounds and include their personal care composition 荷兰联合利华有限公司 2018-01-02 CN disclosed
CN-107531655-A N aromatic alkyl carbonyls piperazine and N aromatic alkyl carbonyl homopiperazine compounds and include their personal care composition 荷兰联合利华有限公司 2018-01-02 CN disclosed
CN-107531655-A N aromatic alkyl carbonyls piperazine and N aromatic alkyl carbonyl homopiperazine compounds and include their personal care composition 荷兰联合利华有限公司 2018-01-02 CN disclosed
EP-2076503-B1 C-PHENYL GLYCITOL COMPOUND FOR THE TREATMENT OF DIABETES TAISHO PHARMACEUTICAL CO LTD (JP) 2013-07-17 EP disclosed
CN-101321529-B Diaryl aether derivant as antineoplastic agent OTSUKA PHARMA CO LTD 2012-09-05 CN disclosed
EP-2346507-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES Boehringer Ingelheim International GmbH (DE) 2011-07-27 EP disclosed
US-7973012-B2 C-phenyl glycitol compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-07-05 US disclosed
WO-2010026029-A1 USE OF QUINAZOLINE DERIVATIVES FOR THE TREATMENT OF VIRAL DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed
US-20100022460-A1 C-PHENYL GLYCITOL COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-01-28 US disclosed
EP-2076503-A2 C-PHENYL GLYCITOL COMPOUND FOR THE TREATMENT OF DIABETES TAISHO PHARMACEUTICAL CO., LTD (JP) 2009-07-08 EP disclosed
EP-1572686-B1 ANTHRANILIC ACID AMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE NOVARTIS AG (CH) 2009-04-15 EP disclosed
US-7504537-B2 Hydroxamic acid derivative and MMP inhibitor containing the same as active ingredient DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-03-17 US disclosed
EP-2004652-A1 3-UNSUBSTITUTED N-(ARYL- OR HETEROARVL)-PYRAZOLORI Ý1,5-A¨PYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2008-12-24 EP disclosed
EP-2004653-A1 3-SUBSTITUTED N-(ARYL- OR HETEROARYL)-PYRAZO[1,5-a]PYRIMIDINES AS KINASE INHIBITORS Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007136116-A2 C-PHENYL GLYCITOL COMPOUND FOR THE TREATMENT OF DIABETES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-11-29 WO disclosed
WO-2007113000-A1 3-SUBSTITUTED N-(ARYL- OR HETEROARYL)-PYRAZO[1,5-a]PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2007-10-11 WO disclosed
WO-2007112998-A1 3-UNSUBSTITUTED N-(ARYL- OR HETEROARVL)-PYRAZOLORI [1,5-A]PYRIMIDINES AS KINASE INHIBITORS NOVARTIS AG (CH) 2007-10-11 WO disclosed
WO-2006089871-A2 DIPHENYLUREA DERIVATIVES USEFUL AS ERG CHANNEL OPENERS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS NEUROSEARCH A/S (DK) 2006-08-31 WO disclosed
US-20060128684-A1 Anthranilic acid amide derivatives and their pharmaceutical use BOLD GUIDO 2006-06-15 US disclosed
US-20050282905-A1 Hydroxamic acid derivative and mmp inhibitor containing the same as active ingredient DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-12-22 US disclosed
EP-1572686-A1 ANTHRANILIC ACID AMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE Novartis AG (CH) 2005-09-14 EP disclosed
EP-1466899-A1 HYDROXAMIC ACID DERIVATIVE AND MMP INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-10-13 EP disclosed
EP-0876345-B1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO (JP) 2004-08-18 EP disclosed
WO-2004052884-A1 ANTHRANILIC ACID AMIDE DERIVATIVES AND THEIR PHARMACEUTICAL USE NOVARTIS AG (CH) 2004-06-24 WO disclosed
US-20040006142-A1 Ocular tension depressor FUJISAWA PHARAMACEUTICAL CO., LTD. (JP) 2004-01-08 US disclosed
EP-1280523-A2 USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF HIGH OCULAR TENSION AND GLAUCOMA Sucampo AG (CH) 2003-02-05 EP disclosed
US-6486155-B1 Method of inhibiting neoplastic cells with isoquinoline derivatives CELL PATHWAYS INC 2002-11-26 US disclosed
WO-2001082913-A2 USE OF BENZAMIDE DERIVATIVES FOR THE TREATMENT OF HIGH OCULAR TENSION AND GLAUCOMA SUCAMPO AG (CH) 2001-11-08 WO disclosed
US-6020339-A Aryl furan derivatives as PDE IV inhibitors MERCK & CO., INC. (US) 2000-02-01 US disclosed
US-6008228-A COMPRISING A MIXTURE OF CARRIER MONOGLYCERIDES OF MEDIUM CHAIN-FATTY ACIDS HOFFMAN-LA ROCHE INC. (US) 1999-12-28 US disclosed
US-6008230-A TREATING BONE DISEASES CAUSED BY ABNORMAL BONE METABOLISM IN HUMAN BEING OR ANIMALS AS THE INHIBITORS OF BONE RESORPTION OR THE INHIBITORS OF BONE METASTASIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-12-28 US disclosed
EP-0876345-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-11-11 EP disclosed
US-5753619-A CYCLIC HEPTAPEPTIDES FOR CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INSUSTRIES, LTD. (JP) 1998-05-19 US disclosed
EP-0831826-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE F. HOFFMANN-LA ROCHE AG (CH) 1998-04-01 EP disclosed
WO-1997014681-A1 HETEROCYCLIC COMPOUNDS AS H+-ATPASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-04-24 WO disclosed
WO-1996039142-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PROTEINASE INHIBITOR AND A MONOGLYCERIDE F. HOFFMANN-LA ROCHE AG (CH) 1996-12-12 WO disclosed
EP-0714909-A1 Composition for prophylaxis or treatment of pulmonary circulatory diseases Takeda Chemical Industries, Ltd. (JP) 1996-06-05 EP disclosed
EP-0669334-A1 TRICYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-08-30 EP disclosed
US-5409927-A Inhibition of hiv aspartate protease CIBA-GEIGY CORPORATION (US) 1995-04-25 US disclosed
US-4297358-A AS ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1981-10-27 US disclosed
US-4221806-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1980-09-09 US disclosed
US-4205082-A ANTI-ALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1980-05-27 US disclosed
US-4205082-A ANTI-ALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1980-05-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100022460-A1 C-PHENYL GLYCITOL COMPOUND SLC5A1, SLC5A2, SLC2A1 CA2 180/4885CA12 425/4885CA1 885/4885
US-20230183243-A1 HETEROARYL DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT TTK, TTBK1, TTBK2 CA2 1093/4885CA12 3872/4885CA1 3141/4885
US-20040006142-A1 Ocular tension depressor TPH2, TPH1, ALDH1A2 CA2 154/4885CA12 4008/4885CA1 3647/4885
US-20050282905-A1 Hydroxamic acid derivative and mmp inhibitor containing the same as active ingredient MMP13, MMP3, MMP2 CA2 74/4885CA12 303/4885CA1 103/4885
US-20060128684-A1 Anthranilic acid amide derivatives and their pharmaceutical use AADAC, AADAT, NAAA CA2 305/4885CA12 357/4885CA1 242/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.