SCHEMBL120353

SCHEMBL120353

O=C(O)c1ccc(-c2ccccc2)cc1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 3/20 0.63
HNF4A P41235 2/20 0.63
AKR1C2 P52895 1/20 0.62
AKR1C1 Q04828 1/20 0.62
TSHR P16473 1/20 0.59
CASP1 P29466 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
DHFR P00374 1/20 0.58
MCL1 Q07820 1/20 0.58
XDH P47989 1/20 0.58
ALDH1A1 P00352 1/20 0.57
ESR2 Q92731 1/20 0.57
DCLRE1A Q6PJP8 1/20 0.56
DCLRE1B Q9H816 1/20 0.56
PDK2 Q15119 1/20 0.55
FTO Q9C0B1 2/20 0.54
ACLY P53396 5/20 0.53
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ERCC5 P28715 1/20 0.50

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
SCHEMBL2770320 0.92 TSHR (0.68) ACMSDHNF4AAKR1C2AKR1C1TSHR
SCHEMBL3417670 0.88 TSHR (0.70) ACMSDHNF4AAKR1C2AKR1C1TSHR
SCHEMBL5063471 0.86 ESR2 (0.55) ACMSDHNF4AAKR1C2AKR1C1DHFR
SCHEMBL30784621 0.86 XDH (0.60) ACMSDHNF4AAKR1C2AKR1C1TSHR
SCHEMBL18688873 0.86 XDH (0.60) ACMSDHNF4AAKR1C2AKR1C1TSHR
SCHEMBL11150735 0.85 ESR2 (0.53) ACMSDHNF4AAKR1C2AKR1C1SMN1; SMN2
SCHEMBL6496649 0.85 AKR1C2 (0.68) ACMSDHNF4AAKR1C2AKR1C1TSHR
SCHEMBL4527705 0.85 XDH (0.55) ACMSDHNF4AAKR1C2AKR1C1TSHR
SCHEMBL122520 0.84 ACMSD (0.63) ACMSDHNF4AAKR1C2AKR1C1DHFR
SCHEMBL6508314 0.84 AKR1C2 (0.70) ACMSDHNF4AAKR1C2AKR1C1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732032-B2 3-aminocyclopentane carboxamide derivatives MERCK PATENT GMBH (DE) 2017-08-15 US claimed
EP-2920146-B1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-28 EP claimed
US-20160264517-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-09-15 US claimed
EP-2920146-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES Merck Patent GmbH (DE) 2015-09-23 EP claimed
WO-2014075754-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2014-05-22 WO claimed
EP-1893566-B1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME (GB) 2013-02-13 EP claimed
US-7626056-B2 2,4-Dichloro-N-(4-cyclopropylmethanesulfonyl-1-cyclopropylmethylcyclohexyl-methyl) benzamide; glutamatergic neurotransmission dysfunction and diseases; dementia; antidepressants; learning enhancement; cognition activators; attention deficit disorders; autism; eating disorders; anxiolytic agents MERCK SHARP & DOHME LIMITED (GB) 2009-12-01 US claimed
US-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-12-07 US claimed
WO-2025054187-A1 TGR5 ANTAGONISTS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2025-03-13 WO disclosed
US-12037324-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-16 US disclosed
EP-3478672-B1 BIARYLMETHYL HETEROCYCLES UNIV MONTREAL (CA) 2024-04-10 EP disclosed
CN-113631548-B Serotonin 5-HT2B inhibiting compounds 硕腾服务有限责任公司 2023-06-06 CN disclosed
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES Université de Montréal (CA) 2023-02-09 US disclosed
US-11407733-B2 Biarylmethyl heterocycles BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-09 US disclosed
CN-1377336-A Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed
WO-2002010146-A1 CARBOXAMIDE COMPOUNDS AND THEIR USE AS ANTAGONISTS OF A HUMAN 11CBY RECEPTOR SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-07 WO disclosed
CN-1313280-A Benzheterocyclic derivatives OTSUKA PHARMA CO LTD (JP) 2001-09-19 CN disclosed
CN-1288457-A Inhibitors of & alpha, 4 mediated cell adhesion TANABE SEIYAKU CO (JP) 2001-03-21 CN disclosed
US-4001306-A INHIBITION OF PLATELET AGGREGATION; NASAL PATENCY, LABOR INDUCEMENT, CONTROLLING BLOOD PRESSURE THE UPJOHN COMPANY (US) 1977-01-04 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-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia GLRA1, GNMT, MGAT1 ACMSD 973/4885HNF4A 2618/4885AKR1C2 733/4885
US-20160264517-A1 3-AMINOCYCLOPENTANE CARBOXAMIDE DERIVATIVES FADS1, FASN, FFAR3 ACMSD 852/4885HNF4A 1168/4885AKR1C2 763/4885
US-11407733-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 ACMSD 4220/4885HNF4A 1064/4885AKR1C2 574/4885
US-12037324-B2 Biarylmethyl heterocycles ARRB1, ADRB2, ADRB1 ACMSD 4220/4885HNF4A 1064/4885AKR1C2 574/4885
US-20230045357-A1 BIARYLMETHYL HETEROCYCLES ARRB1, ADRB2, ADRB1 ACMSD 4220/4885HNF4A 1064/4885AKR1C2 574/4885

“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.