SCHEMBL457632

SCHEMBL457632

COC(=O)c1ccc(-c2cnc(NC(=O)N3CCC(=Cc4ccccn4)CC3)s2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 8/20 0.42
CSNK2A2 P19784 2/20 0.42
CSNK2A1 P68400 2/20 0.42
CNR2 P34972 1/20 0.38
P2RY12 Q9H244 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPY5R Q15761 2/20 0.36
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL460023 0.91 CSNK2A2 (0.46) OGACSNK2A2CSNK2A1CNR2NPY5R
SCHEMBL460463 0.90 OGA (0.45) OGACSNK2A2CSNK2A1CNR2ALDH1A1
SCHEMBL458766 0.86 CNR2 (0.40) OGACNR2NPY5RKMT2ANPC1
SCHEMBL15051480 0.85 OGA (0.44) OGAKMT2ANPC1RAB9AMEN1
SCHEMBL458101 0.82 KDM4E (0.45) P2RY12ALDH1A1MAPTKDM4EMAPK1
SCHEMBL458505 0.81 CNR2 (0.49) OGACSNK2A2CSNK2A1CNR2NPY5R
SCHEMBL27918356 0.80 OGA (0.34) OGACSNK2A2CSNK2A1ALDH1A1MAPT
SCHEMBL458611 0.79 OGA (0.42) OGACNR2ALDH1A1KDM4ENPY5R
SCHEMBL460222 0.79 CNR2 (0.47) OGACNR2NPY5R
SCHEMBL459871 0.78 NPY5R (0.44) OGACSNK2A2CSNK2A1CNR2NPY5R

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 3365/4885CSNK2A2 3578/4885CSNK2A1 3557/4885

“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.