SCHEMBL458505

SCHEMBL458505

O=C(O)c1ccc(-c2cnc(NC(=O)N3CCC(=Cc4ccccn4)CC3)s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.49
NPY5R Q15761 2/20 0.46
KDR P35968 1/20 0.44
CSNK2A1 P68400 2/20 0.44
CSNK2A2 P19784 1/20 0.44
SCD O00767 1/20 0.43
OGA O60502 3/20 0.42
GSTO1 P78417 1/20 0.42
MKNK1 Q9BUB5 1/20 0.42
SRD5A2 P31213 2/20 0.39
USP30 Q70CQ3 2/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK5 Q00535 1/20 0.39
UCHL1 P09936 1/20 0.39
ACP1 P24666 1/20 0.38
WNT3A P56704 1/20 0.38

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
SCHEMBL460463 0.90 OGA (0.45) CNR2NPY5RKDRCSNK2A1CSNK2A2
SCHEMBL460222 0.90 CNR2 (0.47) CNR2NPY5RKDRSCDOGA
SCHEMBL460023 0.89 CSNK2A2 (0.46) CNR2NPY5RKDRCSNK2A1CSNK2A2
SCHEMBL460254 0.88 CNR2 (0.44) CNR2NPY5RKDRCSNK2A1CSNK2A2
SCHEMBL459871 0.87 NPY5R (0.44) CNR2NPY5RKDRCSNK2A1CSNK2A2
SCHEMBL460070 0.87 KDR (0.46) CNR2NPY5RKDRSCD
SCHEMBL460516 0.86 CNR2 (0.45) CNR2NPY5RKDROGAGSTO1
SCHEMBL459963 0.85 CNR2 (0.49) CNR2NPY5RKDROGAMKNK1
SCHEMBL459750 0.85 OGA (0.41) OGASRD5A2
SCHEMBL458611 0.84 OGA (0.42) CNR2NPY5ROGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US claimed
EP-2615084-B1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO LTD (JP) 2016-01-06 EP disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
EP-2615084-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS Taiho Pharmaceutical Co., Ltd. (JP) 2013-07-17 EP disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
WO-2012033069-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS 大鵬薬品工業株式会社 (JP) 2012-03-15 WO 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-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS PTGIS, PTGS1, PTGDR CNR2 180/4885NPY5R 1219/4885KDR 4481/4885

“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.