SCHEMBL1060992

SCHEMBL1060992

O=C(O)c1ccc(OCC2CC(=O)N(c3ccc(F)cc3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
POLB P06746 2/20 0.53
ADORA2B P29275 1/20 0.50
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.48
SSTR5 P35346 2/20 0.48
MAPT P10636 1/20 0.47
NR4A2 P43354 1/20 0.47
TP53 P04637 2/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.44
KCNH2 Q12809 1/20 0.44
GAA P10253 1/20 0.44
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL6272688 0.94 ALDH1A1 (0.48) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL6266719 0.89 ALDH1A1 (0.45) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL6271800 0.89 GLA (0.46) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL6265407 0.89 TP53 (0.48) RAB9APOLBALDH1A1MAPTNR4A2
SCHEMBL6270830 0.88 MAPT (0.47) POLBALDH1A1LMNAMAPTTP53
SCHEMBL6269203 0.88 ALDH1A1 (0.58) POLBALDH1A1LMNAMAPTTP53
SCHEMBL9031178 0.88 ALDH1A1 (0.53) RAB9APOLBALDH1A1LMNAMAPT
SCHEMBL6267362 0.88 LMNA (0.55) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL6272305 0.88 KMT2A (0.53) NPC1RAB9APOLBALDH1A1LMNA
SCHEMBL1083593 0.88 POLB (0.54) NPC1RAB9APOLBADORA2BALDH1A1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3275666-A None JP disclosed
EP-2268641-B1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT LTD (IN) 2014-09-03 EP disclosed
EP-2268641-B1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT LTD (IN) 2014-09-03 EP disclosed
US-8252797-B2 Heterocyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS PVT. LTD. (IN) 2012-08-28 US disclosed
US-8252797-B2 Heterocyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS PVT. LTD. (IN) 2012-08-28 US disclosed
US-8252797-B2 Heterocyclic compounds as adenosine receptor antagonist ADVINUS THERAPEUTICS PVT. LTD. (IN) 2012-08-28 US disclosed
EP-2268641-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST Advinus Therapeutics Pvt. Ltd. (IN) 2011-01-05 EP disclosed
US-20090298744-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD. (IN) 2009-12-03 US disclosed
US-20090298744-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD. (IN) 2009-12-03 US disclosed
US-20090298744-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD. (IN) 2009-12-03 US disclosed
WO-2009118759-A2 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADVINUS THERAPEUTICS PVT. LTD., (IN) 2009-10-01 WO disclosed
EP-1000620-B1 Lp(a)-LOWERING AGENTS AND APOPROTEIN (a) PRODUCTION INHIBITORS TAIHO PHARMACEUTICAL CO LTD (JP) 2005-12-07 EP disclosed
US-6166036-A Lp(a)-lowering agent and apolipoprotein (a) formation suppressing agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 2000-12-26 US disclosed
EP-1000620-A1 Lp(a)-LOWERING AGENTS AND APOPROTEIN (a) PRODUCTION INHIBTORS TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-05-17 EP disclosed
EP-0393607-B1 Phenylcarboxylic acid derivatives having a hetero ring OTSUKA PHARMA CO LTD (JP) 1996-02-21 EP disclosed
US-5145865-A Fatty acid, cholesterol synthesis inhibitors; enzyme inhibitors; antilipemic agents OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1992-09-08 US disclosed
JP-H03275666-A PHENYLCARBOXYLIC ACID DERIVATIVE HAVING HETERO RING OTSUKA PHARMACEUT CO LTD 1991-12-06 JP 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-20090298744-A1 HETEROCYCLIC COMPOUNDS AS ADENOSINE RECEPTOR ANTAGONIST ADORA2A, ADORA3, ADORA1 NPC1 2281/4885RAB9A 1867/4885POLB 1259/4885

“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.