SCHEMBL460193

SCHEMBL460193

O=C(Nc1ncc(C(=O)N2CCCCC2)s1)N1CCC(=Cc2ccccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
RAB9A P51151 4/20 0.40
KDM4E B2RXH2 2/20 0.40
CNR2 P34972 2/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
OGA O60502 4/20 0.38
NAMPT P43490 2/20 0.37
NPC1 O15118 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NTRK1 P04629 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL458611 0.88 OGA (0.42) RAB9AKDM4ECNR2OGANAMPT
SCHEMBL15051480 0.86 OGA (0.44) RAB9AOGANAMPTNPC1SMN1; SMN2
SCHEMBL458850 0.84 MAPT (0.50) RAB9AKDM4ENAMPTNPC1SMN1; SMN2
SCHEMBL459750 0.81 OGA (0.41) RAB9AKDM4EOGANAMPTHSD17B10
Morpholine SCHEMBL17233473 0.80 CNR2 (0.42) RAB9ACNR2OGANAMPTNPC1
SCHEMBL460222 0.78 CNR2 (0.47) CNR2PIK3CAOGA
SCHEMBL458505 0.77 CNR2 (0.49) CNR2OGA
SCHEMBL27900548 0.77 CNR2 (0.39) RAB9AKDM4ECNR2OGANPC1
SCHEMBL460287 0.77 ALDH1A1 (0.53) RAB9AKDM4ENPC1SMN1; SMN2TP53
SCHEMBL458766 0.77 CNR2 (0.40) GRM5RAB9ACNR2OGANPC1

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 GRM5 1905/4885RAB9A 3049/4885KDM4E 2721/4885

“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.