SCHEMBL458132

SCHEMBL458132

O=C(Nc1cnc2ccccc2c1)N1CCC(=Cc2cc(F)ccc2F)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
NPC1 O15118 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
HSD17B10 Q99714 2/20 0.61
TP53 P04637 1/20 0.61
RAB9A P51151 1/20 0.61
FAAH O00519 13/20 0.53
TRPV1 Q8NER1 1/20 0.53
USP30 Q70CQ3 1/20 0.48
NPY5R Q15761 1/20 0.46
KDR P35968 1/20 0.44

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
SCHEMBL460257 0.82 NPC1 (0.64) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL17387431 0.81 KMT2A (0.41) NPC1SMN1; SMN2RAB9AFAAH
SCHEMBL459806 0.80 GLA (0.49) NPC1SMN1; SMN2TP53RAB9AFAAH
SCHEMBL460219 0.80 SMN1; SMN2 (0.51) NPC1SMN1; SMN2TP53RAB9AFAAH
SCHEMBL458109 0.79 GRM4 (0.50) NPC1SMN1; SMN2RAB9AKDR
SCHEMBL17387429 0.78 KMT2A (0.48) NPC1SMN1; SMN2RAB9A
SCHEMBL458121 0.78 NPC1 (0.47) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL460017 0.77 PDGFRB (0.49) NPC1RAB9A
SCHEMBL3092005 0.76 SMN1; SMN2 (0.65) KDM4ENPC1SMN1; SMN2HSD17B10TP53
SCHEMBL460471 0.76 NPC1 (0.53) KDM4ENPC1SMN1; SMN2RAB9AFAAH

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 KDM4E 2721/4885NPC1 2377/4885SMN1; 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.