SCHEMBL4882598

SCHEMBL4882598

CCc1cc(C)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
MAPT P10636 4/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
NQO1 P15559 1/20 0.39
POR P16435 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
AMY1A P0DUB6 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2A6 P11509 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
F2R P25116 1/20 0.36

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
SCHEMBL30806439 0.81 TAAR1 (0.39) FFAR4MAPTTAAR1ALDH1A1HPGD
SCHEMBL4547157 0.81 MAPT (0.41) GABRA1GABRB2MAPTRXFP1ALDH1A1
SCHEMBL2291344 0.81 TAAR1 (0.39) FFAR4MAPTTAAR1ALDH1A1HPGD
SCHEMBL24199851 0.80 FFAR4 (0.38) FFAR4MAPTRAB9AAMY1A
SCHEMBL598593 0.79 TAAR1 (0.44) MAPTRXFP1TAAR1NQO1POR
SCHEMBL30831862 0.79 NPSR1 (0.43) FFAR4MAPTTAAR1ALDH1A1HPGD
SCHEMBL13507390 0.79 TAAR1 (0.47) FFAR4TAAR1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL2790749 0.79 AMY1A (0.39) FFAR4MAPTTAAR1ALDH1A1HPGD
SCHEMBL13967762 0.79 NPSR1 (0.43) FFAR4MAPTTAAR1ALDH1A1HPGD
SCHEMBL11809716 0.79 IDO1 (0.41) FFAR4MAPTTAAR1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025897-A1 CRYSTALLINE HYDRATE OF A JAK INHIBITOR COMPOUND THERAVANCE BIOPHARMA R&D IP LLC (US) 2024-01-25 US disclosed
US-20230322774-A1 DIMETHYL AMINO AZETIDINE AMIDES AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-10-12 US disclosed
US-11713315-B2 5 to 7 membered heterocyclic amides as JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-08-01 US disclosed
US-11702415-B2 Crystalline hydrate of a JAK inhibitor compound THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-07-18 US disclosed
EP-3354651-B1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2021-01-06 EP disclosed
CN-109912457-A A kind of preparation method of 2,6- diethyl -4- aminomethyl phenyl malononitrile 浙江中山化工集团股份有限公司 2019-06-21 CN disclosed
EP-3212643-B1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2019-03-20 EP disclosed
US-10167300-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2019-01-01 US disclosed
EP-3354651-A1 TRIFLUOROMETHYL ALCOHOLS AS MODULATORS OF ROR-GAMMA-T Janssen Pharmaceutica N.V. (BE) 2018-08-01 EP disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 US disclosed
US-20150038707-A1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LLC 2015-02-05 US disclosed
US-20150031891-A1 BIS-QUARTERNARY CINCHONA ALKALOID SALTS AS ASYMMETRIC PHASE TRANSFER CATALYSTS MERCK SHARP & DOHME CORP. (US) 2015-01-29 US disclosed
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 US disclosed
US-20090192138-A1 COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-07-30 US disclosed
US-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
EP-1861095-A1 DERIVATIVES OF IMIDAZO(1,2-A)PYRIDINE USEFUL AS MEDICAMENTS FOR TREATING GASTROINTESTINAL DISEASES GLAXO GROUP LIMITED (GB) 2007-12-05 EP disclosed
US-7271270-B2 High affinity small molecule C5a receptor modulators NEUROGEN CORPORATION (US) 2007-09-18 US disclosed
WO-2007071738-A1 CONDENSED HETEROCYCLIC COMPOUNDS USEFUL AS DPP-IV INHIBITORS NOVARTIS AG (CH) 2007-06-28 WO disclosed
EP-1277734-B1 2- and 2,5-substituted phenylketo-enols BAYER CROPSCIENCE AG (DE) 2007-02-07 EP disclosed
WO-2006100119-A1 DERIVATIVES OF IMIDAZO (1,2-A) PYRIDINE USEFUL AS MEDICAMENTS FOR TREATING GASTROINTESTINAL DISEASES GLAXO GROUP LIMITED (GB) 2006-09-28 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 (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-20080255358-A1 Derivatives of Imidazo [1,2-A] Pyridine Useful as Medicaments For Treating Gastrointestinal Diseases ALPI, PYGL, PPIP5K2 GABRA1 2030/4885GABRB2 2046/4885FFAR4 2431/4885
US-10167300-B2 Metalloenzyme inhibitor compounds as fungicides GPX1, POR, MGAM GABRA1 2199/4885GABRB2 1885/4885FFAR4 4312/4885
US-20150031891-A1 BIS-QUARTERNARY CINCHONA ALKALOID SALTS AS ASYMMETRIC PHASE TRANSFER CATALYSTS COASY, BCHE, CLK4 GABRA1 3739/4885GABRB2 3738/4885FFAR4 4713/4885
US-20230322774-A1 DIMETHYL AMINO AZETIDINE AMIDES AS JAK INHIBITORS JAK1, JAK2, JAK3 GABRA1 945/4885GABRB2 1901/4885FFAR4 3324/4885
US-11713315-B2 5 to 7 membered heterocyclic amides as JAK inhibitors JAK1, JAK2, JAK3 GABRA1 1242/4885GABRB2 2316/4885FFAR4 3808/4885
US-20090192138-A1 COMPOUNDS DPP4, DPP3, DPP8 GABRA1 3137/4885GABRB2 2677/4885FFAR4 489/4885
US-11702415-B2 Crystalline hydrate of a JAK inhibitor compound JAK1, JAK2, JAK3 GABRA1 3193/4885GABRB2 4441/4885FFAR4 2843/4885
US-20240025897-A1 CRYSTALLINE HYDRATE OF A JAK INHIBITOR COMPOUND JAK1, JAK2, JAK3 GABRA1 3193/4885GABRB2 4441/4885FFAR4 2843/4885
US-20150038707-A1 PROCESS FOR MAKING CGRP RECEPTOR ANTAGONISTS CALCRL, CALCR, GRPR GABRA1 117/4885GABRB2 73/4885FFAR4 1036/4885

“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.