SCHEMBL1011189

SCHEMBL1011189

CC(CN)Cc1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.52
LOXL2 Q9Y4K0 1/20 0.50
TAAR1 Q96RJ0 5/20 0.46
MAOB P27338 3/20 0.43
MAOA P21397 2/20 0.43
IDO1 P14902 3/20 0.40
AGXT P21549 2/20 0.40
AOC3 Q16853 1/20 0.39

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
SCHEMBL10665841 0.80 TAAR1 (0.48) TAAR1IDO1AGXT
SCHEMBL23047509 0.80 TAAR1 (0.48) TAAR1MAOA
SCHEMBL13165980 0.80 TRPA1 (0.53) TRPA1LOXL2TAAR1MAOBMAOA
SCHEMBL24244793 0.80 TRPA1 (0.53) TRPA1LOXL2MAOBMAOAIDO1
SCHEMBL9909393 0.80 TRPA1 (0.53) TRPA1LOXL2TAAR1MAOBMAOA
SCHEMBL13165979 0.80 TRPA1 (0.53) TRPA1LOXL2TAAR1MAOBMAOA
SCHEMBL3932320 0.78 TRPA1 (0.68) TRPA1LOXL2TAAR1MAOBMAOA
SCHEMBL8522755 0.78 TRPA1 (0.68) TRPA1LOXL2TAAR1MAOBMAOA
SCHEMBL232629 0.78 SLC6A2 (0.63) TAAR1MAOBIDO1AGXTAOC3
SCHEMBL8840397 0.78 IDO1 (0.50) TAAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107501241-A Compound, the pharmaceutical composition containing it and their purposes in proliferative disease is treated 梅制药公司 2017-12-22 CN disclosed
CN-1972916-B Cinnamide compounds EISAI R&D MAN CO LTD 2013-03-27 CN disclosed
CN-101723900-B Cinnamide compounds EISAI R&D MAN CO LTD 2012-08-22 CN disclosed
EP-2268611-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-01-05 EP disclosed
CN-101723900-A Cinnamide compounds EISAI R&D MAN CO LTD 2010-06-09 CN disclosed
WO-2010003127-A2 ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-01-07 WO disclosed
WO-2009145989-A2 AMINOALKYLPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2009-12-03 WO disclosed
EP-1505963-A4 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2008-12-24 EP disclosed
EP-1828111-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-05 EP disclosed
CN-1972916-A Cinnamide compounds EISAI R&D MAN CO LTD (JP) 2007-05-30 CN disclosed
US-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses ESPERION THERAPEUTICS, INC. 2003-04-24 US disclosed
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
WO-2002030860-A9 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS INC (US) 2003-02-20 WO disclosed
US-6441023-B1 FOR THERAPY OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN HOME PRODUCTS CORPORATION 2002-08-27 US disclosed
WO-2002030860-A2 KETONE COMPOUNDS AND COMPOSITIONS FOR CHOLESTEROL MANAGEMENT AND RELATED USES ESPERION THERAPEUTICS, INC. (US) 2002-04-18 WO disclosed
US-20020032186-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID COMPANY (US) 2002-03-14 US disclosed
US-6242605-B1 Aryloxy-alkyl-dialkylamines AMERICAN HOME PRODUCTS CORPORATION 2001-06-05 US disclosed
EP-1037878-A2 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-09-27 EP disclosed
WO-1999026927-A2 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 1999-06-03 WO disclosed
US-5627204-A ENZYME INHIBITORS FOR TREATMENT OF DIABETES TSUMURA & COMPANY (JP) 1997-05-06 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 (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-20020032186-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors MMP12, ADAM33, MMP2 TRPA1 3707/4885LOXL2 1799/4885TAAR1 3515/4885
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 TRPA1 2619/4885LOXL2 4321/4885TAAR1 211/4885
US-20030078239-A1 Ketone compounds and compositions for cholesterol management and related uses PC, HMGCR, GPR119 TRPA1 2564/4885LOXL2 4492/4885TAAR1 2240/4885

“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.