SCHEMBL336574

SCHEMBL336574

C1CCN(N2CCNCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
CHKA P35790 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 1/20 0.41
HRH1 P35367 1/20 0.40
CXCR4 P61073 3/20 0.33
CASP1 P29466 1/20 0.33
CASP4 P49662 1/20 0.33
CASP5 P51878 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
HTR6 P50406 1/20 0.32
HIF1A Q16665 1/20 0.31
MAPT P10636 1/20 0.31
PDE4A P27815 1/20 0.31
KDR P35968 1/20 0.31
RAD52 P43351 1/20 0.31

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
Hydrochloric Acid SCHEMBL28035808 0.97 KDM4E (0.44) CA2CHKAKDM4ESMN1; SMN2USP2
SCHEMBL1258379 0.97 CA2 (0.42) CA2CHKAKDM4ESMN1; SMN2USP2
SCHEMBL2914797 0.94 ALDH1A1 (0.44) CA2CHKAKDM4ESMN1; SMN2USP2
SCHEMBL2918689 0.90 CXCR4 (0.41) CA2CHKAKDM4ESMN1; SMN2USP2
SCHEMBL2010175 0.90 CA2 (0.36) CA2CHKAKDM4ESMN1; SMN2USP2
Piperazine SCHEMBL28198825 0.90 CXCR4 (0.44) CA2CHKAKDM4ESMN1; SMN2USP2
SCHEMBL5030028 0.89 ALDH1A1 (0.47) CA2CHKAKDM4ESMN1; SMN2USP2
SCHEMBL28441176 0.88 CXCR4 (0.44) CA2CHKAKDM4ESMN1; SMN2USP2
SCHEMBL3769647 0.87 CXCR4 (0.42) CA2CHKAKDM4ESMN1; SMN2USP2
SCHEMBL1997368 0.87 CXCR4 (0.42) CA2CHKAKDM4ESMN1; SMN2USP2

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 718 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240010913-A1 RED FLUORESCENT SENSOR COMPOUNDS FOR THE DETECTION OF METAL IONS FEMTONICS KFT. (HU) 2024-01-11 US claimed
CN-115835911-A Imidazo [1,2-a ] pyridine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2023-03-21 CN claimed
CN-115417858-A Intracellular self-assembly ALK degradation agent based on bioorthogonal strategy and preparation method and application thereof 中国药科大学 2022-12-02 CN claimed
WO-2022118054-A1 RED FLUORESCENT SENSOR COMPOUNDS FOR THE DETECTION OF METAL IONS FEMTONICS KFT. (HU) 2022-06-09 WO claimed
CN-112673003-A Novel pyrrolidine amine compounds for the treatment of autoimmune diseases 豪夫迈·罗氏有限公司 2021-04-16 CN claimed
CN-112341436-A Benzocarbazole proteolysis targeted chimeric molecule based on targeted inhibition and ALK degradation, preparation method and application 中国药科大学 2021-02-09 CN claimed
WO-2020228635-A1 EGFR KINASE INHIBITOR AND APPLICATION THEREOF IN PREPARING ANTI-CANCER DRUG 浙江大学 2020-11-19 WO claimed
CN-110965374-A Environment-friendly chlorine-resistant color fixing agent and preparation method thereof 王秋平 2020-04-07 CN claimed
US-10465015-B2 Lentinan extraction process from mushrooms using ionic liquid K Hughes & Co., Ltd. (GB) 2019-11-05 US claimed
CN-108218026-B A method of processing waste water containing piperidine alcohols simultaneously recycles piperidine alcohols 杭州九清科技有限公司 2019-03-05 CN claimed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO claimed
WO-2005087215-A1 SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO claimed
US-20050165049-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-07-28 US claimed
US-6864254-B1 Inhibitor for 20-hete-yielding enzyme TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-03-08 US claimed
EP-1480954-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-12-01 EP claimed
WO-2003068749-A1 VANILLOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2003-08-21 WO claimed
EP-0636025-B1 COMPOUNDS USEFUL FOR TREATING ALLERGIC OR INFLAMMATORY DISEASES SMITHKLINE BEECHAM CORP (US) 2001-07-18 EP claimed
EP-0191045-B1 USE OF 4-(ISOXAZOLYL)-THIAZOLE-2-OXAMIC ACID DERIVATIVES ZAMBON S.p.A. (IT) 1989-12-20 EP claimed
US-4774246-A 6,8-DIFLUORO-4-OXO-3-CARBOXYLIC ACID DERIVATIVES ABBOTT LABORATORIES (US) 1988-09-27 US claimed
EP-0071892-B1 PHOSPHOLIPID DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION OF THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-10-23 EP claimed

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

For each of this compound's patents that has machine-readable text (3 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-20050165049-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 CA2 908/4885CHKA 1815/4885KDM4E 4218/4885
US-20240010913-A1 RED FLUORESCENT SENSOR COMPOUNDS FOR THE DETECTION OF METAL IONS SLC30A6, SLC30A7, SLC39A14 CA2 18/4885CHKA 4275/4885KDM4E 3882/4885
US-10465015-B2 Lentinan extraction process from mushrooms using ionic liquid MGAM, LMAN1, PIM1 CA2 3307/4885CHKA 3859/4885KDM4E 1283/4885

“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.