SCHEMBL460156

SCHEMBL460156

O=C(Nc1nccs1)c1ccc(-c2ccc(NC(=O)N3CCC(=Cc4ccccn4)CC3)cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTPN1 P18031 2/20 0.42
PTPN2 P17706 1/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
SCD O00767 1/20 0.42
POLB P06746 1/20 0.41
AGER Q15109 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
SCN3A Q9NY46 1/20 0.40
NAMPT P43490 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNK3 O14649 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
SCHEMBL457743 0.85 PTPN1 (0.44) PTPN1PTPN2ALDH1A1NAMPTPTPN6
SCHEMBL458769 0.85 NPY5R (0.44) CYP3A4PTPN1PTPN2RAB9AALDH1A1
SCHEMBL460070 0.85 KDR (0.46) ADORA2ANPC1RAB9ASCDPOLB
SCHEMBL458368 0.84 KMT2A (0.46) PTPN1PTPN2TSHRNAMPTPTPN6
SCHEMBL458101 0.83 KDM4E (0.45) CYP3A4PTPN1PTPN2NPC1RAB9A
SCHEMBL460114 0.82 NPY5R (0.40) CYP3A4PTPN1PTPN2ALDH1A1NAMPT
SCHEMBL459476 0.75 NPY5R (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1NAMPT
SCHEMBL15051927 0.75 NPY5R (0.46) CYP3A4ALDH1A1LMNAMAPT
SCHEMBL458406 0.73 KDM4E (0.45) CYP3A4NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14082184 0.73 NPC1 (0.74) NPC1RAB9ASCDPOLBAGER

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
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

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 ADORA2A 551/4885CYP3A4 1379/4885CYP2C19 747/4885

“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.