SCHEMBL458364

SCHEMBL458364

O=C(Nc1nc2ccc(-c3cccs3)cc2s1)N1CCC(=Cc2ccccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ITK Q08881 1/20 0.42
POLB P06746 1/20 0.42
OPRK1 P41145 1/20 0.41
HDAC3 O15379 5/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC2 Q92769 5/20 0.41

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
SCHEMBL458334 0.89 ITK (0.51) TRPV1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL459961 0.85 PIK3CG (0.46) TRPV1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL458913 0.85 PIK3CG (0.56) TRPV1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL460334 0.84 TRPV1 (0.47) TRPV1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL460061 0.84 HPGDS (0.55) TRPV1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL458405 0.84 ABL1 (0.47) TRPV1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL460519 0.82 PIK3CG (0.58) TRPV1RAB9ANPC1KDM4EALDH1A1
SCHEMBL460191 0.82 RAB9A (0.44) TRPV1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL15103274 0.81 NPC1 (0.52) RAB9ANPC1SMN1; SMN2HPGDS
SCHEMBL460598 0.81 DYRK1A (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1HTT

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 TRPV1 163/4885RAB9A 3049/4885NPC1 2377/4885

“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.