SCHEMBL2774556

SCHEMBL2774556

[NH]Cc1ccc2c(c1)OCO2

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.63
CYP1A2 P05177 2/20 0.63
MAPT P10636 1/20 0.63
TAAR1 Q96RJ0 4/20 0.60
SLC6A4 P31645 3/20 0.58
CYP2D6 P10635 2/20 0.56
SLC6A2 P23975 2/20 0.56
SLC6A3 Q01959 2/20 0.56
CMA1 P23946 1/20 0.55
ALDH1A1 P00352 2/20 0.53
GAA P10253 1/20 0.53
CYP2C19 P33261 1/20 0.53
MIF P14174 1/20 0.53
CALM1 P0DP23 1/20 0.51

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
SCHEMBL4181991 0.87 CYP2D6 (0.50) CYP3A4CYP1A2MAPTTAAR1SLC6A4
SCHEMBL5807082 0.83 TAAR1 (0.67) CYP3A4CYP1A2MAPTTAAR1SLC6A4
SCHEMBL9339241 0.83 CYP1A2 (0.46) CYP3A4CYP1A2MAPTTAAR1SLC6A4
SCHEMBL108087 0.82 TAAR1 (0.77) CYP3A4CYP1A2MAPTTAAR1SLC6A4
SCHEMBL108109 0.80 TAAR1 (0.62) CYP3A4CYP1A2MAPTTAAR1SLC6A4
SCHEMBL529821 0.80 TAAR1 (0.62) CYP3A4CYP1A2MAPTTAAR1SLC6A4
SCHEMBL437991 0.79 CYP3A4 (0.59) CYP3A4CYP1A2MAPTTAAR1SLC6A4
SCHEMBL30194501 0.79 CYP3A4 (0.70) CYP3A4CYP1A2MAPTTAAR1SLC6A4
SCHEMBL10533167 0.78 TAAR1 (0.60) CYP3A4CYP1A2MAPTTAAR1SLC6A4
SCHEMBL57649 0.78 TAAR1 (0.71) CYP3A4CYP1A2MAPTTAAR1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1144384-B1 COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2007-10-31 EP claimed
EP-0713483-B1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRAZENECA AB (SE) 2003-01-15 EP claimed
US-6479492-B1 TREATMENT OF INFLAMMATORY DISEASES IN A MAMMALIAN PATIENT ELAN PHARMACEUTICALS, INC. 2002-11-12 US claimed
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DISCOVERY PARTNERS INTERNATIONAL, INC. 2002-05-16 US claimed
US-6030985-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 2000-02-29 US claimed
EP-0635508-B1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS ASAHI CHEMICAL IND (JP) 1999-10-06 EP claimed
US-5807885-A Amidine derivatives with nitric oxide synthetase activities ASTRA AKTIEBOLAG (SE) 1998-09-15 US claimed
US-5621103-A 3-(SUBSTITUTED METHYLAMINOCARBONYL)-1,2,3,4-TETRAHYDRO-(1)BENZOTHIENO(2,3-C) PYRIDINES; ANXIOLYTIC AGENTS; LEARNING ENHANCEMENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1997-04-15 US claimed
EP-0713483-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES Astra Aktiebolag (SE) 1996-05-29 EP claimed
EP-0471841-B1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME ASAHI CHEMICAL IND (JP) 1995-11-02 EP claimed
WO-1995005363-A1 AMIDINE DERIVATIVES WITH NITRIC OXIDE SYNTHETASE ACTIVITIES ASTRA AKTIEBOLAG (SE) 1995-02-23 WO claimed
EP-0635508-A1 TETRAHYDROPYRIDINE DERIVATIVE HAVING SUBSTITUENTS ON THREE RINGS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1995-01-25 EP claimed
EP-0471841-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-02-26 EP claimed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US disclosed
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AZEVAN PHARMACEUTICALS INC (US) 2023-04-20 US disclosed
CN-106459021-B Compositions and methods for treating neurodegenerative diseases 阿泽范药品公司 2023-04-07 CN disclosed
US-4999378-A Antilipemic, anticholesterol, antidiabetic, treatment of atherosclerosis and obesity OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-03-12 US disclosed
EP-0394440-A1 PHENYLCARBOXYLIC ACID DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-10-31 EP disclosed
US-4288453-A A-(1-PHENYL-2,2,2-TRIFLUOROETHOXY (OR -ETHYLTHIO))ALKANOIC ACIDS USEFUL AS ANTICHOLESTEROL AND ANTILIPEMIC AGENTS SCIENCE UNION ET CIE (FR) 1981-09-08 US disclosed
US-3950339-A SUBSTITUTED-2-(PYRIMIDINYLTHIO)ACETAMIDOXIMES AND ACETONITRILES AMERICAN HOME PRODUCTS CORPORATION (US) 1976-04-13 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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT CYP3A4 4138/4885CYP1A2 2732/4885MAPT 135/4885
US-20020058788-A1 Facile deprotection of Fmoc protected amino groups DNPEP, LNPEP, NPEPPS CYP3A4 4161/4885CYP1A2 4756/4885MAPT 1188/4885
US-20230123729-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES HTT, AVPR2, AVPR1B CYP3A4 4834/4885CYP1A2 4505/4885MAPT 30/4885

“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.