SCHEMBL459750

SCHEMBL459750

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OGA O60502 2/20 0.41
NAMPT P43490 3/20 0.40
ASF1A Q9Y294 1/20 0.39
PTPN1 P18031 1/20 0.39
FAAH O00519 1/20 0.38
LCK P06239 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGDS O60760 1/20 0.37
GAA P10253 1/20 0.36
SRD5A2 P31213 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
SCHEMBL460287 0.88 ALDH1A1 (0.53) MEN1KMT2ARAB9AKDM4EALDH1A1
SCHEMBL458611 0.88 OGA (0.42) OGANAMPTRAB9AKDM4EALDH1A1
SCHEMBL458850 0.87 MAPT (0.50) NAMPTRAB9AKDM4EALDH1A1MAPT
SCHEMBL458505 0.85 CNR2 (0.49) OGASRD5A2
SCHEMBL457698 0.82 NAMPT (0.40) OGANAMPTLCKKDM4EALDH1A1
SCHEMBL15051480 0.82 OGA (0.44) OGANAMPTMEN1KMT2ARAB9A
SCHEMBL460023 0.81 CSNK2A2 (0.46) OGANAMPTRAB9ASRD5A2
SCHEMBL460193 0.81 GRM5 (0.44) OGANAMPTMEN1KMT2ARAB9A
Morpholine SCHEMBL17233473 0.80 CNR2 (0.42) OGANAMPTRAB9AALDH1A1MAPT
SCHEMBL459476 0.79 NPY5R (0.44) NAMPTFAAHMEN1KMT2ARAB9A

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 OGA 3365/4885NAMPT 386/4885ASF1A 1550/4885

“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.