SCHEMBL964552

SCHEMBL964552

NCc1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.46
CES2 O00748 2/20 0.46
IDO1 P14902 4/20 0.44
POLQ O75417 8/20 0.44
TAAR1 Q96RJ0 2/20 0.41
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL6815067 0.84 TAAR1 (0.52) DAOCES2IDO1POLQTAAR1
SCHEMBL6018761 0.83 CES2 (0.46) DAOCES2IDO1TAAR1TSHR
SCHEMBL1538523 0.83 DAO (0.49) DAOCES2IDO1POLQ
SCHEMBL1993639 0.81 CES2 (0.52) DAOCES2IDO1POLQ
SCHEMBL147650 0.79 DAO (0.46) DAOCES2IDO1POLQ
SCHEMBL4590973 0.79 ALDH1A1 (0.47) IDO1TAAR1TSHRMAPK1
SCHEMBL4416164 0.79 POLQ (0.51) DAOCES2IDO1POLQ
SCHEMBL13958202 0.79 DAO (0.46) DAOCES2IDO1POLQ
SCHEMBL109671 0.79 IDO1 (0.65) IDO1
SCHEMBL1873922 0.79 DAO (0.46) DAOCES2IDO1POLQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6331649-B1 REDUCING AN OXIME BY CATALYTIC HYDROGENTATION IN SOLVENT CONTAINING AN ACID CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-18 US claimed
CN-119735529-A Benzamide compound and application thereof in preparation of sensitizer of pseudomonas aeruginosa inhibitor 海南大学 2025-04-01 CN disclosed
WO-2024196958-A2 COMPOUNDS FOR RESTORING SUSCEPTIBILITY TO BETA-LACTAM ANTIBIOTICS UNIVERSITY OF NOTRE DAME DU LAC (US) 2024-09-26 WO disclosed
CN-118221644-A Pyrrolidine derivative, composition and application thereof 上海京新生物医药有限公司 2024-06-21 CN disclosed
CN-114380753-B Aryl or heteroaryl substituted quinoxaline-2, 3-diamine compound and antibacterial application thereof 中国医学科学院药物研究所 2024-02-27 CN disclosed
WO-2022195522-A1 INHIBITORS OF ANO6 AND THEIR USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-09-22 WO disclosed
WO-2022157686-A1 INHIBITORS OF ANOCTAMIN 6 PROTEIN AND USES THEREOF ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-07-28 WO disclosed
CN-114380753-A Aryl or heteroaryl substituted quinoxaline-2, 3-diamine compound and antibacterial application thereof 中国医学科学院药物研究所 2022-04-22 CN disclosed
US-8501769-B2 Thienopyridyl compounds that inhibit vanilloid receptor subtype 1 (VR1) and uses thereof ABBVIE INC. (US) 2013-08-06 US disclosed
EP-1654235-B1 3- AMINOCARBONYL, 6-PHENYL SUBSTITUTED PYRIDINE-1-OXIDES AS P38 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2004-08-12 US disclosed
EP-1036785-B1 Process for the preparation of bis(trifluoromethyl)benzylamines BAYER AG (DE) 2003-09-10 EP disclosed
WO-2003070247-A1 FUSED AZABICYCLIC COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR ABBOTT LABORATORIES (US) 2003-08-28 WO disclosed
US-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor ABBVIE INC. 2003-08-21 US disclosed
US-6476267-B1 Process for producing aromatic primary amine by low-pressure SAGAMI CHEMICAL RESEARCH CENTER (JP) 2002-11-05 US disclosed
US-6376712-B2 REDUCTION OF THE CORRESPONDING OXIME COMPOUND CENTRAL GLASS COMPANY, LIMITED (JP) 2002-04-23 US disclosed
US-20020013500-A1 Process for producing trifluoromethylbenzylamines CENTRAL GLASS COMPANY, LIMITED (JP) 2002-01-31 US disclosed
US-6331649-B1 REDUCING AN OXIME BY CATALYTIC HYDROGENTATION IN SOLVENT CONTAINING AN ACID CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-18 US disclosed
US-6137011-A CATALYTICALLY HYDROGENATINING BISTRIFLUOROMETHYLBENZONITRILE, IN PRESENCE OF RANEY COBALT,ALIPHATIC ETHER, AND AMMONIA TO FORM BISTRIFLUOROMETHYLBENZYL-AMINE BAYER AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed
EP-1036785-A1 Process for the preparation of bis(trifluoromethyl)benzylamines Bayer Aktiengesellschaft (DE) 2000-09-20 EP 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-20030158198-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 DAO 2997/4885CES2 3942/4885IDO1 1232/4885
US-20040157849-A1 Fused azabicyclic compounds that inhibit vanilloid receptor subtype 1 (VR1) receptor TRPV1, VIPR1, TMEM109 DAO 2908/4885CES2 3712/4885IDO1 1192/4885
US-20020013500-A1 Process for producing trifluoromethylbenzylamines MAOB, CYP2F1, AGL DAO 45/4885CES2 449/4885IDO1 49/4885

“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.