SCHEMBL1426705

SCHEMBL1426705

O=CCc1ccc(C(F)(F)F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.53
▸ DAO P14920 1/20 0.47
▸ SLC6A4 P31645 3/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ PDE2A O00408 3/20 0.40
▸ GAA P10253 1/20 0.39
▸ CES2 O00748 2/20 0.38
▸ FFAR1 O14842 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ POLQ O75417 1/20 0.35
▸ KIF11 P52732 1/20 0.34

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
SCHEMBL2275926 0.86 KIF11 (0.47) IDO1KIF11
SCHEMBL13437709 0.85 IDO1 (0.53) IDO1DAOPDE2AGAACES2
SCHEMBL2316538 0.84 MEN1 (0.41) IDO1DAOPDE2ACES2MEN1
SCHEMBL585296 0.82 IDO1 (0.54) IDO1DAOSLC6A4SLC6A2SLC6A3
SCHEMBL22573228 0.81 ALDH1A1 (0.47) IDO1SLC6A4SLC6A2SLC6A3GAA
SCHEMBL22265163 0.81 DAO (0.47) IDO1DAOPDE2ACES2MEN1
SCHEMBL6193600 0.81 DAO (0.47) IDO1DAOCES2POLQ
SCHEMBL1428445 0.81 EPHX2 (0.37) IDO1DAOSLC6A4SLC6A2SLC6A3
SCHEMBL6864791 0.79 CES2 (0.47) IDO1DAOCES2POLQKIF11
SCHEMBL28743564 0.79 IDO1 (0.50) IDO1DAOSLC6A4SLC6A2SLC6A3

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4097097-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-07 — — EP disclosed
WO-2021154796-A1 GLP-1R MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2021-08-05 — — WO disclosed
EP-3774782-A2 ATF6 INHIBITORS AND USES THEREOF Black Belt TX Ltd (GB) 2021-02-17 — — EP disclosed
EP-3294297-A1 PYRIMIDINONE AMIDE COMPOUNDS AS PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-03-21 — — EP disclosed
EP-3291817-A1 HETEROARYL-PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-03-14 — — EP disclosed
EP-3285581-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-28 — — EP disclosed
WO-2016186888-A1 PYRIMIDINONE AMIDE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-24 — — WO disclosed
WO-2016179059-A1 HETEROARYL-PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-11-10 — — WO disclosed
WO-2016154081-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 — — WO disclosed
EP-2629851-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2013-08-28 — — EP disclosed
WO-2012054716-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV. (BE) 2012-04-26 — — WO disclosed
EP-2300423-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-03-30 — — EP disclosed
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 — — US disclosed
WO-2009156072-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-30 — — WO disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 — — US disclosed
US-4267359-A Novel carboxylic acid esters ZOECON CORPORATION (US) 1981-05-12 — — US disclosed
US-4204071-A 4-Aryl-3-butenoic acids and lower alkyl esters ZOECON CORPORATION (US) 1980-05-20 — — 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 (1 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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 IDO1 1680/4885DAO 1586/4885SLC6A4 336/4885

“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.

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