SCHEMBL3385586

SCHEMBL3385586

NC(CCO)c1ccccc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.41
TDO2 P48775 2/20 0.41
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
GAA P10253 1/20 0.38
CNR2 P34972 2/20 0.37
CFD P00746 1/20 0.36
GNRHR P30968 1/20 0.35
CYP3A4 P08684 1/20 0.35
BCDIN3D Q7Z5W3 3/20 0.33
CYP2D6 P10635 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL20445808 1.00 IDO1 (0.41) IDO1TDO2CES2CES1GAA
Alcohol SCHEMBL28537136 0.94 IDO1 (0.38) IDO1TDO2CES2CES1GAA
SCHEMBL25194111 0.89 IDO1 (0.39) IDO1TDO2CES2CES1GAA
SCHEMBL15705118 0.89 IDO1 (0.39) IDO1TDO2CES2CES1GAA
SCHEMBL4672694 0.85 IDO1 (0.44) IDO1TDO2CES2CES1GAA
SCHEMBL3383956 0.85 CFD (0.44) IDO1TDO2CES2CES1CFD
SCHEMBL28537135 0.84 CES2 (0.37) IDO1TDO2CES2CES1GAA
SCHEMBL1332822 0.83 IDO1 (0.40) IDO1TDO2CES2CES1GAA
SCHEMBL29375829 0.83 IDO1 (0.40) IDO1TDO2CES2CES1GAA
SCHEMBL14670418 0.83 IDO1 (0.40) IDO1TDO2CES2CES1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345678-B2 Benzopyrazole compound used as RHO kinase inhibitor MEDSHINE DISCOVERY INC. (CN) 2022-05-31 US disclosed
US-20210371393-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2021-12-02 US disclosed
CN-108137547-B Heterocyclic compounds useful as TNF alpha modulators 百时美施贵宝公司 2021-11-12 CN disclosed
EP-3356348-B1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LTD (GB) 2021-05-05 EP disclosed
EP-3782987-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR Medshine Discovery Inc. (CN) 2021-02-24 EP disclosed
US-10865191-B2 Heterocyclic compounds useful as modulators of TNF alpha BRISTOL-MYERS SQUIBB COMPANY (US) 2020-12-15 US disclosed
US-10730882-B2 2-aminoquinazoline derivatives as P70S6 kinase inhibitors SENTINEL ONCOLOGY LIMITED (GB) 2020-08-04 US disclosed
WO-2019201296-A1 PYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR 南京明德新药研发有限公司 2019-10-24 WO disclosed
WO-2019201297-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR 南京明德新药研发有限公司 2019-10-24 WO disclosed
US-20190292195-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2019-09-26 US disclosed
WO-2017025565-A1 2-AMINO-7A-PHENYL-3,4,4A,5,7,7A-HEXAHYDROFURO[3,4-B]PYRIDINES AS BACE1 INHIBITORS H. LUNDBECK A/S (DK) 2017-02-16 WO disclosed
WO-2017023905-A1 HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA BRISTOL-MYERS SQUIBB COMPANY (US) 2017-02-09 WO disclosed
US-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 US disclosed
US-8415480-B2 Thiazolidine carboxamide derivatives as modulators of the prostaglandin F receptor MERCK SERONO SA (CH) 2013-04-09 US disclosed
EP-1487442-B1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR MERCK SERONO SA (CH) 2010-12-01 EP disclosed
US-20090215749-A9 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR LABORATOIRES SERONO S.A. (CH) 2009-08-27 US disclosed
CN-100484524-C Thiazolidine carboxamide derivatives as modulators of the prostaglandin receptor APPLIED RESEARCH SYSTEMS (CH) 2009-05-06 CN disclosed
US-20080255094-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR LABORATOIRES SERONO S.A. (CH) 2008-10-16 US disclosed
US-20050215605-A1 Thiazolidine carboxamide derivatives as modulators of the prostaglandin f receptor MERCK SERONO SA (CH) 2005-09-29 US disclosed
CN-1655780-A Thiazolidine carboxamide derivatives as modulators of the prostaglandin f receptor APPLIED RESEARCH SYSTEMS (AN) 2005-08-17 CN 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 (9 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-10865191-B2 Heterocyclic compounds useful as modulators of TNF alpha TNF, TNFRSF9, TNFRSF1A IDO1 828/4885TDO2 4224/4885CES2 2331/4885
US-20190292195-A1 2-AMINOQUINAZOLINE DERIVATIVES AS P70S6 KINASE INHIBITORS RPS6KA1, MTOR, RPTOR IDO1 1921/4885TDO2 251/4885CES2 3672/4885
US-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES TNNI3, TNNC1, FABP3 IDO1 3086/4885TDO2 4350/4885CES2 2648/4885
US-11345678-B2 Benzopyrazole compound used as RHO kinase inhibitor ROCK1, ROCK2, CIT IDO1 1043/4885TDO2 2826/4885CES2 4205/4885
US-20090215749-A9 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR PTGER4, PTGER2, PTGER1 IDO1 3839/4885TDO2 1786/4885CES2 1951/4885
US-20080255094-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR PTGER4, PTGER2, PTGER1 IDO1 3839/4885TDO2 1786/4885CES2 1951/4885
US-10730882-B2 2-aminoquinazoline derivatives as P70S6 kinase inhibitors RPS6KA1, MTOR, RPTOR IDO1 1921/4885TDO2 251/4885CES2 3672/4885
US-20050215605-A1 Thiazolidine carboxamide derivatives as modulators of the prostaglandin f receptor TBXA2R, CNR2, PTGDR IDO1 3483/4885TDO2 1611/4885CES2 1938/4885
US-20210371393-A1 BENZOPYRAZOLE COMPOUND USED AS RHO KINASE INHIBITOR ROCK1, ROCK2, CIT IDO1 1043/4885TDO2 2826/4885CES2 4205/4885

“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.