SCHEMBL460463

SCHEMBL460463

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OGA O60502 5/20 0.45
CNR2 P34972 1/20 0.45
NPY5R Q15761 2/20 0.42
CSNK2A2 P19784 2/20 0.40
CSNK2A1 P68400 2/20 0.40
MKNK1 Q9BUB5 1/20 0.40
KDR P35968 1/20 0.40
SCD O00767 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GSTO1 P78417 1/20 0.38
USP30 Q70CQ3 1/20 0.38
KCNQ1 P51787 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL458505 0.90 CNR2 (0.49) OGACNR2NPY5RCSNK2A2CSNK2A1
SCHEMBL457632 0.90 OGA (0.42) OGACNR2NPY5RCSNK2A2CSNK2A1
SCHEMBL460222 0.87 CNR2 (0.47) OGACNR2NPY5RMKNK1KDR
SCHEMBL459871 0.86 NPY5R (0.44) OGACNR2NPY5RCSNK2A2CSNK2A1
SCHEMBL15051480 0.86 OGA (0.44) OGA
SCHEMBL460070 0.85 KDR (0.46) CNR2NPY5RKDRSCDALDH1A1
SCHEMBL460516 0.84 CNR2 (0.45) OGACNR2NPY5RMKNK1KDR
SCHEMBL460254 0.84 CNR2 (0.44) OGACNR2NPY5RCSNK2A2CSNK2A1
SCHEMBL458406 0.84 KDM4E (0.45) OGANPY5RKDM4EALDH1A1MAPT
SCHEMBL27900548 0.83 CNR2 (0.39) OGACNR2NPY5RKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-103080086-B Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO LTD 2014-11-05 CN 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
CN-103080086-A Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO LTD 2013-05-01 CN 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 OGA 3365/4885CNR2 180/4885NPY5R 1219/4885

“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.