SCHEMBL460222

SCHEMBL460222

Nc1ccc(-c2cnc(NC(=O)N3CCC(=Cc4ccccn4)CC3)s2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
CYP3A4 P08684 3/20 0.44
NPY5R Q15761 2/20 0.44
PI4KB Q9UBF8 1/20 0.41
GSTO1 P78417 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
KDR P35968 1/20 0.40
OGA O60502 3/20 0.39
USP30 Q70CQ3 2/20 0.38
UCHL1 P09936 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
SCD O00767 1/20 0.38
PIK3CA P42336 1/20 0.37
WNT3A P56704 1/20 0.36
ACP1 P24666 1/20 0.36

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) CNR2NPY5RGSTO1MKNK1KDR
SCHEMBL460463 0.87 OGA (0.45) CNR2NPY5RGSTO1MKNK1KDR
SCHEMBL460516 0.87 CNR2 (0.45) CNR2NPY5RGSTO1MKNK1KDR
SCHEMBL459963 0.86 CNR2 (0.49) CNR2NPY5RMKNK1KDROGA
SCHEMBL459871 0.84 NPY5R (0.44) CNR2NPY5RGSTO1MKNK1KDR
SCHEMBL460070 0.84 KDR (0.46) CNR2NPY5RKDRSCD
SCHEMBL460254 0.84 CNR2 (0.44) CNR2NPY5RGSTO1MKNK1KDR
SCHEMBL460271 0.83 NAMPT (0.44) CNR2NPY5RGSTO1MKNK1KDR
SCHEMBL458766 0.81 CNR2 (0.40) CNR2NPY5RGSTO1MKNK1OGA
SCHEMBL458611 0.81 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 5 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
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 180/4885CYP3A4 1379/4885NPY5R 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.