SCHEMBL457743

SCHEMBL457743

O=C(O)c1ccc(-c2ccc(NC(=O)N3CCC(=Cc4ccccn4)CC3)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.44
PTPN2 P17706 1/20 0.44
NAMPT P43490 4/20 0.43
NPY5R Q15761 1/20 0.42
ADH5 P11766 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
FAAH O00519 1/20 0.40
MAPT P10636 2/20 0.39
LDHA P00338 1/20 0.39
CREBBP Q92793 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
PORCN Q9H237 1/20 0.39
WNT3A P56704 1/20 0.39

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
SCHEMBL458101 0.90 KDM4E (0.45) PTPN1PTPN2NAMPTNPY5RKDM4E
SCHEMBL459476 0.89 NPY5R (0.44) NAMPTNPY5RKDM4EALDH1A1FAAH
SCHEMBL460114 0.89 NPY5R (0.40) PTPN1PTPN2NAMPTNPY5RKDM4E
SCHEMBL458368 0.88 KMT2A (0.46) PTPN1PTPN2NAMPTPTPN6PTPN11
SCHEMBL458769 0.87 NPY5R (0.44) PTPN1PTPN2NAMPTNPY5RKDM4E
SCHEMBL460156 0.85 ADORA2A (0.43) PTPN1PTPN2NAMPTALDH1A1MAPT
SCHEMBL15051927 0.81 NPY5R (0.46) NPY5RKDM4EALDH1A1MAPTMAPK1
SCHEMBL460023 0.81 CSNK2A2 (0.46) NAMPTNPY5RLDHA
SCHEMBL458505 0.80 CNR2 (0.49) NPY5RWNT3A
SCHEMBL458637 0.80 MAPT (0.53) KDM4EALDH1A1MAPTMAPK1HTT

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 PTPN1 3511/4885PTPN2 3632/4885NAMPT 386/4885

“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.