SCHEMBL696776

SCHEMBL696776

[O]CCc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
MAOB P27338 1/20 0.48
IDO1 P14902 2/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
AOC3 Q16853 1/20 0.46
FFAR1 O14842 1/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
DAO P14920 1/20 0.42
AGXT P21549 1/20 0.42
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41

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
SCHEMBL28846325 0.93 MAOB (0.59) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL10540891 0.85 GFER (0.42) TAAR1MAOBFFAR1
SCHEMBL1047241 0.84 TAAR1 (0.52) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL1287203 0.82 TAAR1 (0.50) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL7437052 0.82 TAAR1 (0.68) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL8498237 0.80 TAAR1 (0.48) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL8498682 0.80 TAAR1 (0.48) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL1045945 0.80 TAAR1 (0.48) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL8497299 0.80 TAAR1 (0.48) TAAR1MAOBIDO1LOXL2AOC3
SCHEMBL8499020 0.80 TAAR1 (0.48) TAAR1MAOBIDO1LOXL2AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3917927-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2021-12-08 EP claimed
WO-2020156323-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2020-08-06 WO claimed
CN-102137668-B Pyrazolopyridine Derivatives as NADPH Oxidase Inhibitors GENKYOTEX S.A. (CH) 2016-05-18 CN claimed
WO-2015172747-A1 SPIROCYCLIC MOLECULES AS MTH1 INHIBITORS WANG ZHAOYIN (CN) 2015-11-19 WO claimed
WO-2012047993-A2 N-HYDROXYPYRIMIDINE-2,4-DIONES AS INHIBITORS OF HIV AND HCV REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-04-12 WO claimed
EP-2421847-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
US-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-01-20 US claimed
WO-2010124116-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
JP-4537315-B2 2010-09-01 JP claimed
EP-1581207-A4 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2007-07-25 EP claimed
EP-1746888-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2007-01-31 EP claimed
JP-2006510736-A 2006-03-30 JP claimed
WO-2005112640-A2 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2005-12-01 WO claimed
EP-1581207-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2005-10-05 EP claimed
WO-2004041201-A2 BENZOFURAN COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATMENT AND PROPHYLAXIS OF HEPATITIS C VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2004-05-21 WO claimed
EP-0443573-A2 HIV protease inhibitors containing derived amino acids BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP claimed
EP-0443560-A2 HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP claimed
EP-3917927-A1 IMMUNOMODULATORS, COMPOSITIONS AND METHODS THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2021-12-08 EP disclosed
EP-0443573-A2 HIV protease inhibitors containing derived amino acids BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP disclosed
EP-0443560-A2 HIV protease inhibitors BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC. (CA) 1991-08-28 EP 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 (1 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-20110015171-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, LIPA TAAR1 2055/4885MAOB 428/4885IDO1 1554/4885

“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.