SCHEMBL557913

SCHEMBL557913

CC(N)c1cc(F)cc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
ADRB2 P07550 1/20 0.39
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
NR1I2 O75469 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
PDE2A O00408 2/20 0.35
GBA1 P04062 3/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL1004099 1.00 IDO1 (0.42) IDO1TDO2ADRB2CES2CES1
SCHEMBL1728961 1.00 IDO1 (0.42) IDO1TDO2ADRB2CES2CES1
Hydrochloric Acid SCHEMBL1876903 0.97 IDO1 (0.45) IDO1TDO2ADRB2CES2CES1
Hydrochloric Acid SCHEMBL1003419 0.97 IDO1 (0.45) IDO1TDO2ADRB2CES2CES1
Hydrochloric Acid SCHEMBL16341078 0.97 IDO1 (0.45) IDO1TDO2ADRB2CES2CES1
SCHEMBL25078128 0.85 IDO1 (0.33) IDO1TDO2ADRB2CES2CES1
SCHEMBL17041581 0.85 ACHE (0.34) IDO1TDO2ADRB2PDE2A
SCHEMBL29337278 0.85 ACHE (0.34) IDO1TDO2ADRB2PDE2A
SCHEMBL1006029 0.84 GBA1 (0.36) IDO1TDO2ADRB2PDE2AGBA1
SCHEMBL16649721 0.84 ADRB2 (0.46) IDO1TDO2ADRB2OPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
CN-113271950-B Pyrimidine compound or salt thereof 大鹏药品工业株式会社 2024-04-30 CN disclosed
WO-2024046361-A1 AZEPINE FUSED RING COMPOUND AS RIPK1 INHIBITOR AND USE THEREOF 科辉智药生物科技(无锡)有限公司 2024-03-07 WO disclosed
CN-116368136-A EGFR inhibitors 大鹏药品工业株式会社 2023-06-30 CN disclosed
US-20230028114-A1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-01-26 US disclosed
CN-115490699-A Fused ring compound and pharmaceutical composition and application thereof 成都海博为药业有限公司 2022-12-20 CN disclosed
EP-4031552-A1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2022-07-27 EP disclosed
CN-114728975-A Azole-fused pyridazin-3 (2H) -one derivatives 武田药品工业株式会社 2022-07-08 CN disclosed
US-11267804-B2 (R)-8-(1-((3-fluorophenyl)amino)ethyl)-N-(2-hydroxyethyl)-2-morpholinoquinoxaline-6-carboxamide for inhibiting phosphoinositide-3-kinase activity JANSSEN PHARMACEUTICA NV (BE) 2022-03-08 US disclosed
WO-2021255093-A1 ACTIVE COMPOUND COMBINATION BAYER AKTIENGESELLSCHAFT (DE) 2021-12-23 WO disclosed
EP-1595871-A2 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. (US) 2005-11-16 EP disclosed
WO-2005066139-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-21 WO disclosed
US-6797842-B2 BY ASYMMETRICALLY REDUCING AN OPTICALLY ACTIVE IMINE, USING A HYDRIDE REDUCING AGENT TO CONVERT TO AN OPTICALLY ACTIVE SECONDARY AMINE, WHICH THEN UNDERGOES HYDROGENOLYSIS; HIGH OPTICAL PURITY, SIMPLE, EFFICIENT CENTRAL GLASS COMPANY, LIMITED (JP) 2004-09-28 US disclosed
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US disclosed
US-6429207-B1 QUINOXALINE DERIVATIVES EXHIBITING A HIGH DEGREE OF POTENCY AND SELECTIVITY FOR INDIVIDUAL METABOTROPIC GLUTAMATE RECEPTORS (MGLUR) NPS PHARMACEUTICALS, INC. 2002-08-06 US disclosed
US-20020103400-A1 Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same CENTRAL GLASS COMPANY, LIMITED (JP) 2002-08-01 US disclosed
EP-1196397-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2002-04-17 EP disclosed
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed
WO-2000073283-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-12-07 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 (4 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-11267804-B2 (R)-8-(1-((3-fluorophenyl)amino)ethyl)-N-(2-hydroxyethyl)-2-morpholinoquinoxaline-6-carboxamide for inhibiting phosphoinositide-3-kinase activity PIK3CD, PIK3CA, PIK3CB IDO1 1639/4885TDO2 3183/4885ADRB2 782/4885
US-20230028114-A1 AZOLE-FUSED PYRIDAZIN-3(2H)-ONE DERIVATIVES GPR139, GPR119, GPR39 IDO1 1821/4885TDO2 4056/4885ADRB2 58/4885
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases GRM2, GRM1, GRM3 IDO1 4095/4885TDO2 4202/4885ADRB2 575/4885
US-20020103400-A1 Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same MAP2K5, MAP2K4, MAP2K1 IDO1 520/4885TDO2 1988/4885ADRB2 865/4885

“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.