SCHEMBL460605

SCHEMBL460605

O=C(Nc1ccccn1)N1CCC(NC(=O)N2CCC(=Cc3cc(F)ccc3F)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
OPRM1 P35372 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
FAAH O00519 4/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 3/20 0.39
CHRM4 P08173 1/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 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
SCHEMBL459850 0.87 EPHX2 (0.52) NPC1BCHEACHEBACE1
SCHEMBL460471 0.86 NPC1 (0.53) NPC1FAAHALDH1A1KMT2A
SCHEMBL460112 0.84 KMT2A (0.39) NPC1OPRM1FAAHALDH1A1KMT2A
SCHEMBL460503 0.83 CYP2D6 (0.42) NPC1FAAHKMT2A
SCHEMBL460370 0.82 CCR3 (0.51) DRD2DRD4DRD3KMT2A
SCHEMBL459347 0.81 ALDH1A1 (0.45) NPC1ALDH1A1KMT2A
SCHEMBL460042 0.81 KMT2A (0.40) OPRM1FNTAFNTBKMT2A
SCHEMBL459356 0.81 CCR3 (0.53) NPC1KMT2A
SCHEMBL457742 0.80 ALDH1A1 (0.46) NPC1ALDH1A1KMT2A
SCHEMBL458157 0.80 EPHX2 (0.43) NPC1ALDH1A1KMT2A

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 2377/4885OPRM1 606/4885DRD2 65/4885

“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.