SCHEMBL539028

SCHEMBL539028

Cc1[c]ccc(OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 9/20 0.53
ALOX5 P09917 1/20 0.51
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
KMT2A Q03164 1/20 0.47
BCHE P06276 2/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HIF1A Q16665 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
MAOA P21397 2/20 0.45

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
SCHEMBL28757469 0.85 TDP1 (0.43) MAOBALOX5RAB9AMEN1NPC1
SCHEMBL7253659 0.84 ALOX5 (0.50) ALOX5RAB9ACYP1A2MAOA
SCHEMBL7245835 0.83 NOS3 (0.46) MAOBMEN1KMT2AMAOAMAPK1
SCHEMBL28039561 0.82 MAOA (0.49) LMNAMAOAMAPK1
SCHEMBL2093026 0.81 ALOX5 (0.53) MAOBALOX5RAB9AMEN1KMT2A
SCHEMBL404503 0.80 MAOB (0.53) MAOBALOX5RAB9AMEN1NPC1
SCHEMBL3948493 0.80 MAOB (0.58) MAOBALOX5BCHECYP4F2CYP4A11
SCHEMBL4599510 0.79 MAOB (0.57) MAOBALOX5RAB9ABCHECYP4F2
SCHEMBL3298362 0.79 CYP1A2 (0.55) MAOBALOX5RAB9AMEN1KMT2A
SCHEMBL4073708 0.79 ALOX5 (0.51) MAOBALOX5RAB9ABCHECYP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486005-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP claimed
US-8288404-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-16 US claimed
US-8273770-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-25 US claimed
EP-2486005-A1 PYRROLIDINE GPR40 MODULATORS Bristol-Myers Squibb Company (US) 2012-08-15 EP claimed
CN-102639495-A Pyrrolidine GPR40 Modulators BRISTOL MYERS SQUIBB CO 2012-08-15 CN claimed
EP-2176251-B1 5-pyridinone substituted indazoles and pharmaceutical compositions thereof ALBANY MOLECULAR RES INC (US) 2012-02-08 EP claimed
WO-2011044073-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO claimed
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2011-04-07 US claimed
EP-2176251-A2 5-PYRIDINONE SUBSTITUTED INDAZOLES Albany Molecular Research, Inc. (US) 2010-04-21 EP claimed
US-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES AMR TECHNOLOGY, INC. (US) 2009-03-26 US claimed
WO-2009015037-A2 5-PYRIDINONE SUBSTITUTED INDAZOLES ALBANY MOLECULAR RESEARCH, INC. (US) 2009-01-29 WO claimed
EP-0463488-B2 O-Benzyl oxime ethers and fungicides containing them BASF AG (DE) 2004-04-21 EP claimed
CN-104603106-B Indole carboxamide derivatives and uses thereof 诺华股份有限公司 2017-05-10 CN disclosed
CN-102548976-B (thio) morpholine derivatives as S1P modulators ABBVIE BAHAMAS LTD. (BS) 2015-09-09 CN disclosed
EP-2486005-B1 PYRROLIDINE GPR40 MODULATORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP disclosed
US-8288404-B2 Pyrrolidine GPR40 modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-16 US disclosed
EP-0347766-B1 4,5,7,8-Tetrahydro-6H-thiazolo[5,4-d]azepines, their preparation and their use as medicaments THOMAE GMBH DR K (DE) 1994-05-25 EP disclosed
US-5068325-A Dopaminergic systems as hypotensives, sedatives, antitussives and/or antiphlogistics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
US-4618610-A Triazine derivatives, and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-10-21 US disclosed
EP-0123254-A1 Triazine derivatives, processes for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-31 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 (2 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-20090082359-A1 5-PYRIDINONE SUBSTITUTED INDAZOLES CYP3A5, PNPO, NDUFS3 MAOB 144/4885ALOX5 301/4885RAB9A 3295/4885
US-20110082165-A1 PYRROLIDINE GPR40 MODULATORS GPR55, GPR65, GPR27 MAOB 4128/4885ALOX5 1279/4885RAB9A 2231/4885

“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.