SCHEMBL2414756

SCHEMBL2414756

Brc1ccc(OC2CCCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.48
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
EPHX2 P34913 2/20 0.43
HPGD P15428 1/20 0.42
FURIN P09958 2/20 0.42
MAPT P10636 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
HRH1 P35367 1/20 0.41
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
FFAR1 O14842 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL623713 0.98 PARP10 (0.47) PARP10ALDH1A1TSHREPHX2HPGD
SCHEMBL9966865 0.95 PARP10 (0.53) PARP10ALDH1A1TSHREPHX2HPGD
Hydrochloric Acid SCHEMBL30522774 0.93 PARP10 (0.52) PARP10ALDH1A1TSHREPHX2HPGD
SCHEMBL835805 0.91 EPHX2 (0.49) PARP10ALDH1A1TSHREPHX2MAPT
SCHEMBL2242868 0.85 PARP10 (0.55) PARP10ALDH1A1TSHREPHX2HPGD
SCHEMBL16561564 0.84 PARP10 (0.57) PARP10ALDH1A1EPHX2MAPT
SCHEMBL23410183 0.83 HRH1 (0.58) PARP10HRH3HRH1
SCHEMBL29995412 0.83 HRH1 (0.58) PARP10HRH3HRH1
SCHEMBL20335443 0.81 EPHX2 (0.43) PARP10ALDH1A1EPHX2HPGDMAPT
SCHEMBL1539247 0.81 KDM1A (0.44) PARP10TSHREPHX2MAPTHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4034538-A1 NEW HETEROCYCLIC MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. Hoffmann-La Roche AG (CH) 2022-08-03 EP disclosed
EP-4028402-A1 RADIOLABELED COMPOUNDS F. Hoffmann-La Roche AG (CH) 2022-07-20 EP disclosed
US-20220202963-A1 RADIOLABELED COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-06-30 US disclosed
CN-114650994-A Radiolabelled compounds 豪夫迈·罗氏有限公司 2022-06-21 CN disclosed
CN-114401968-A Novel heterocyclic monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2022-04-26 CN disclosed
US-20210094973-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US disclosed
WO-2021058445-A1 NEW HETEROCYCLIC MONOACYLGLYCEROL LIPASE (MAGL) INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2021-04-01 WO disclosed
WO-2021048241-A1 RADIOLABELED COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-03-18 WO disclosed
WO-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO disclosed
EP-2997024-B1 PYRROLIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INT (DE) 2018-03-28 EP disclosed
EP-0958280-B1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME DAIICHI SUNTORY PHARMA CO LTD (JP) 2005-05-04 EP disclosed
US-6838470-B2 Arylpiperidinopropanol and arylpiprazinopropanol derivatives and pharmaceuticals containing the same DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2005-01-04 US disclosed
CN-1157376-C Arylpiperidinopropanol and arylpiperazinopropanol derivatives and drugs containing the same ��һ��������ҩ��ʽ���� 2004-07-14 CN disclosed
US-20030236269-A1 Arylpiperidinopropanol and arylpiperazinopropanol derivatives and pharmaceuticals containing the same ASUBIO PHARMA CO., LTD. (JP) 2003-12-25 US disclosed
US-6525199-B1 Ring coupling, reduction and deprotecting; synthesis of compounds for alleviation and treatment of symptoms due to ischemic diseases SUNTORY LIMITED (JP) 2003-02-25 US disclosed
US-6407099-B1 SUPPRESSING CYTOTOXIC CALCIUM OVERLOAD AND LIPID PEROXIDATION; ANTIEPILEPTIC, ANTIISCHEMIC, AND ANTIEDEMIC AGENTS; BRAIN, NERVOUS SYSTEM, AND CARDIOVASCULAR DISORDERS SUNTORY LIMITED (JP) 2002-06-18 US disclosed
EP-1138678-A2 Process for making N-((4-phenyl) methylphenyl) piperazines SUNTORY LIMITED (JP) 2001-10-04 EP disclosed
CN-1246110-A Arylpiperidinopropanol and arylpiperazinopropanol derivatives and drugs containing the same SUNTORY LTD (JP) 2000-03-01 CN disclosed
EP-0958280-A1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME SUNTORY LIMITED (JP) 1999-11-24 EP disclosed
WO-1999023072-A1 ARYLPIPERIDINOPROPANOL AND ARYLPIPERAZINOPROPANOL DERIVATIVES AND PHARMACEUTICALS CONTAINING THE SAME SUNTORY LIMITED (JP) 1999-05-14 WO 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 (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-20210094973-A1 HETEROCYCLIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP1A1, CYP1B1 PARP10 1087/4885ALDH1A1 321/4885TSHR 1926/4885
US-20030236269-A1 Arylpiperidinopropanol and arylpiperazinopropanol derivatives and pharmaceuticals containing the same NR1H2, NR1H3, APOL1 PARP10 2582/4885ALDH1A1 837/4885TSHR 1606/4885
US-20220202963-A1 RADIOLABELED COMPOUNDS MGLL, PNLIP, LPL PARP10 1372/4885ALDH1A1 2209/4885TSHR 2274/4885

“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.