SCHEMBL459871

SCHEMBL459871

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.44
CNR2 P34972 1/20 0.42
KDR P35968 1/20 0.41
SCD O00767 1/20 0.41
USP30 Q70CQ3 2/20 0.39
MKNK1 Q9BUB5 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
FLT3 P36888 2/20 0.37
KIT P10721 1/20 0.37
OGA O60502 2/20 0.37
TRPV4 Q9HBA0 1/20 0.36
ACP1 P24666 1/20 0.36
WNT3A P56704 1/20 0.36
BCL2L1 Q07817 2/20 0.36
BCL2 P10415 1/20 0.36
GSTO1 P78417 1/20 0.36
KCNQ1 P51787 1/20 0.36
AURKA O14965 1/20 0.35

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
SCHEMBL460254 0.91 CNR2 (0.44) NPY5RCNR2KDRSCDUSP30
SCHEMBL458505 0.87 CNR2 (0.49) NPY5RCNR2KDRSCDUSP30
SCHEMBL460070 0.87 KDR (0.46) NPY5RCNR2KDRSCDFLT3
SCHEMBL460463 0.86 OGA (0.45) NPY5RCNR2KDRSCDUSP30
SCHEMBL460222 0.84 CNR2 (0.47) NPY5RCNR2KDRSCDUSP30
SCHEMBL458769 0.83 NPY5R (0.44) NPY5RTRPV4
SCHEMBL460516 0.81 CNR2 (0.45) NPY5RCNR2KDRMKNK1OGA
SCHEMBL459963 0.80 CNR2 (0.49) NPY5RCNR2KDRUSP30MKNK1
SCHEMBL460271 0.79 NAMPT (0.44) NPY5RCNR2KDRUSP30MKNK1
SCHEMBL460023 0.79 CSNK2A2 (0.46) NPY5RCNR2KDRSCDMKNK1

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 NPY5R 1219/4885CNR2 180/4885KDR 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.