SCHEMBL9912450

SCHEMBL9912450

Cc1ccc(OC(F)(F)F)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 4/20 0.45
FFAR4 Q5NUL3 6/20 0.43
CYP3A4 P08684 2/20 0.42
KCNH2 Q12809 2/20 0.42
CACNA1C Q13936 1/20 0.42
SCN5A Q14524 1/20 0.42
FFAR1 O14842 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
KIF11 P52732 1/20 0.39
IDH1 O75874 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
LMNA P02545 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
SCHEMBL10153891 0.84 FFAR4 (0.49) GPR3FFAR4CYP3A4KCNH2CACNA1C
SCHEMBL16997499 0.82 CYP3A4 (0.43) CYP3A4KCNH2ALDH1A1DRD2DRD4
SCHEMBL8065084 0.81 GPR3 (0.48) GPR3FFAR4SCN5AFFAR1SLC6A4
SCHEMBL29894167 0.81 GPR3 (0.48) GPR3FFAR4SCN5AFFAR1SLC6A4
SCHEMBL171112 0.81 GPR3 (0.49) GPR3FFAR4CYP3A4SCN5AKIF11
SCHEMBL30867033 0.81 GPR3 (0.49) GPR3FFAR4CYP3A4SCN5AKIF11
SCHEMBL29954158 0.79 GPR3 (0.41) GPR3FFAR4CYP3A4KCNH2CACNA1C
SCHEMBL6077610 0.79 GPR3 (0.41) GPR3FFAR4CYP3A4KCNH2CACNA1C
SCHEMBL257513 0.79 FABP2 (0.46) ALDH1A1SLC6A4AKR1C2AKR1C1IDH1
SCHEMBL900910 0.78 PDE2A (0.47) GPR3FFAR4SCN5AFFAR1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEYOU PHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
WO-2023154197-A1 FUSED DIAZEPINES AS AGONISTS OF THE INSULIN-LIKE 3 (INSL3) PEPTIDE RECEPTOR RXFP2 AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-08-17 WO disclosed
US-20230026907-A1 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF ORION CORP (FI) 2023-01-26 US disclosed
WO-2022256676-A1 SUBSTITUTED TETRAHYDROFURAN ANALOGS AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-12-08 WO disclosed
WO-2022192487-A2 METHYL-SUBSTITUTED PYRIDINE AND PYRIDAZINE COMPOUNDS, DERIVATIVES THEREOF, AND METHODS OF THEIR USE LATIGO BIOTHERAPEUTICS, INC. (US) 2022-09-15 WO disclosed
WO-2021191359-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 WO disclosed
EP-3524600-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF NOVEL SUBSTITUTED 6,7-DIHYDRO-5H-BENZO[7]ANNULENE COMPOUNDS Sanofi (FR) 2019-08-14 EP disclosed
WO-2019020981-A1 PYRAZOLE, ISOTHIAZOLE AND ISOXAZOLE DERIVATIVES USEFUL AS AGRICULTURAL FUNGICIDES REDAG CROP PROTECTION LTD. (GB) 2019-01-31 WO disclosed
EP-1805158-B1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS INC (US) 2018-06-27 EP disclosed
US-20170340613-A1 Novel Imidazole-Based Heterocyclic Compounds PROCOMCURE BIOTECH GMBH (AT) 2017-11-30 US disclosed
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR KALYPSYS, INC. (US) 2009-01-29 US disclosed
US-20080107608-A1 5-Substituted-2-Arylpyridines GE PING 2008-05-08 US disclosed
US-7361687-B2 Arylsulphonamide derivatives and methods of preparing LABORATOIRES FOURNIER SA (FR) 2008-04-22 US disclosed
US-20080081821-A1 AZA-benzothiophenyl compounds and methods of use GENENTECH, INC. 2008-04-03 US disclosed
EP-1903045-A1 PYRAZOLOPYRIMIDINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2008-03-26 EP disclosed
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands NEUROGEN CORPORATION (US) 2008-01-17 US disclosed
US-7223778-B2 5-substituted-2-arylpyridines NEUROGEN CORPORATION (US) 2007-05-29 US disclosed
US-7160900-B2 Tetrahydropyridino or piperidino heterocyclic derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-01-09 US disclosed
US-7160900-B2 Tetrahydropyridino or piperidino heterocyclic derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-01-09 US disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 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 (7 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-20230026907-A1 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, HCN4, CACNA1F GPR3 1198/4885FFAR4 262/4885CYP3A4 231/4885
US-20080081821-A1 AZA-benzothiophenyl compounds and methods of use MKI67, CDKN1A, MAP3K1 GPR3 4132/4885FFAR4 4546/4885CYP3A4 2909/4885
US-20090029971-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS MODULATORS OF PPAR PPARG, PPARA, PPARD GPR3 303/4885FFAR4 19/4885CYP3A4 1506/4885
US-20230303495-A9 PYRIDINE OXYNITRIDE, PREPARATION METHOD THEREFOR AND USE THEREOF SCN11A, HCN4, CACNA1F GPR3 1198/4885FFAR4 262/4885CYP3A4 231/4885
US-20080015196-A1 Imidazopyrazines, Imidazopyridines, and Imidazopyrimidines as Crf1 Receptor Ligands CRHR1, CRHR2, CRHBP GPR3 89/4885FFAR4 109/4885CYP3A4 2475/4885
US-20080107608-A1 5-Substituted-2-Arylpyridines CRHR2, CRHR1, HTR2C GPR3 157/4885FFAR4 86/4885CYP3A4 1805/4885
US-20170340613-A1 Novel Imidazole-Based Heterocyclic Compounds SLC11A2, MIF, NISCH GPR3 2786/4885FFAR4 3896/4885CYP3A4 339/4885

“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.