SCHEMBL459476

SCHEMBL459476

O=C(O)c1ccc(-c2ncc(NC(=O)N3CCC(=Cc4ccccn4)CC3)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 4/20 0.42
FAAH O00519 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
SRD5A2 P31213 3/20 0.40
HSD17B10 Q99714 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
PDE10A Q9Y233 1/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
NAMPT P43490 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
CASP3 P42574 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
SCHEMBL457743 0.89 PTPN1 (0.44) NPY5RKDM4EALDH1A1FAAHMAPT
SCHEMBL458406 0.89 KDM4E (0.45) NPY5RKDM4EALDH1A1FAAHMAPT
SCHEMBL15051079 0.83 KDM4E (0.46) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL458505 0.83 CNR2 (0.49) NPY5RSRD5A2
SCHEMBL458637 0.80 MAPT (0.53) KDM4EALDH1A1MAPTGAAHSD17B10
SCHEMBL460257 0.80 NPC1 (0.64) NPY5RKDM4EALDH1A1FAAHMAPT
SCHEMBL458101 0.79 KDM4E (0.45) NPY5RKDM4EALDH1A1FAAHMAPT
SCHEMBL15051927 0.79 NPY5R (0.46) NPY5RKDM4EALDH1A1MAPTGAA
SCHEMBL459750 0.79 OGA (0.41) KDM4EALDH1A1FAAHMAPTGAA
SCHEMBL460114 0.79 NPY5R (0.40) NPY5RKDM4EALDH1A1MAPTHSD17B10

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 1219/4885KDM4E 2721/4885ALDH1A1 157/4885

“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.