SCHEMBL460334

SCHEMBL460334

Nc1ccc2nc(NC(=O)N3CCC(=Cc4ccccn4)CC3)sc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.47
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GFER P55789 1/20 0.46
MAPT P10636 3/20 0.45
HTT P42858 3/20 0.45
OPRK1 P41145 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
HSD17B10 Q99714 2/20 0.45
LMNA P02545 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
HPGDS O60760 5/20 0.44
HDAC4 P56524 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL460061 0.89 HPGDS (0.55) TRPV1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL460598 0.87 DYRK1A (0.52) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL458334 0.86 ITK (0.51) TRPV1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL458775 0.85 SMN1; SMN2 (0.57) TRPV1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL459961 0.85 PIK3CG (0.46) TRPV1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL458364 0.84 TRPV1 (0.44) TRPV1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL458913 0.84 PIK3CG (0.56) TRPV1RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL460191 0.81 RAB9A (0.44) TRPV1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL458405 0.81 ABL1 (0.47) TRPV1MAPTKDM4EALDH1A1POLB
SCHEMBL460519 0.81 PIK3CG (0.58) TRPV1RAB9ANPC1MAPTHTT

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.