SCHEMBL460257

SCHEMBL460257

O=C(Nc1cnc2ccccc2c1)N1CCC(=Cc2ccccn2)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.64
RAB9A P51151 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
KDM4E B2RXH2 3/20 0.64
HSD17B10 Q99714 2/20 0.64
TP53 P04637 1/20 0.64
TRPV1 Q8NER1 1/20 0.52
USP30 Q70CQ3 1/20 0.50
FAAH O00519 11/20 0.48
NPY5R Q15761 1/20 0.47
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KDR P35968 1/20 0.46
MITF O75030 1/20 0.45
XBP1 P17861 1/20 0.45
PAX8 Q06710 1/20 0.45
KLF5 Q13887 1/20 0.45

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
SCHEMBL15051079 0.83 KDM4E (0.46) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL458132 0.82 KDM4E (0.61) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL15051927 0.81 NPY5R (0.46) KDM4ETRPV1NPY5RMAPTALDH1A1
SCHEMBL459476 0.80 NPY5R (0.44) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL458637 0.79 MAPT (0.53) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL458406 0.77 KDM4E (0.45) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL457743 0.75 PTPN1 (0.44) KDM4EHSD17B10FAAHNPY5RMAPT
SCHEMBL458775 0.74 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10
SCHEMBL460190 0.73 FAAH (0.56) NPC1RAB9ASMN1; SMN2FAAHMAPT
SCHEMBL460334 0.73 TRPV1 (0.47) NPC1RAB9ASMN1; SMN2KDM4EHSD17B10

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 NPC1 2377/4885RAB9A 3049/4885SMN1; SMN2 4361/4885

“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.