SCHEMBL459961

SCHEMBL459961

O=C(Nc1nc2ccc(-c3cncnc3)cc2s1)N1CCC(=Cc2ccccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.46
PIK3CA P42336 2/20 0.46
TRPV1 Q8NER1 3/20 0.44
ABL1 P00519 5/20 0.44
ITK Q08881 3/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
OPRK1 P41145 1/20 0.42

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
SCHEMBL458913 0.92 PIK3CG (0.56) PIK3CGPIK3CATRPV1ABL1ITK
SCHEMBL458334 0.91 ITK (0.51) PIK3CGPIK3CATRPV1ABL1ITK
SCHEMBL460519 0.86 PIK3CG (0.58) PIK3CGPIK3CATRPV1ABL1RAB9A
SCHEMBL458364 0.85 TRPV1 (0.44) PIK3CGTRPV1ABL1ITKRAB9A
SCHEMBL460334 0.85 TRPV1 (0.47) TRPV1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL460061 0.85 HPGDS (0.55) TRPV1RAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL15103274 0.84 NPC1 (0.52) PIK3CARAB9ANPC1SMN1; SMN2HPGDS
SCHEMBL460191 0.83 RAB9A (0.44) TRPV1ABL1RAB9ANPC1SMN1; SMN2
SCHEMBL458405 0.83 ABL1 (0.47) PIK3CGTRPV1ABL1KDM4EALDH1A1
SCHEMBL460598 0.82 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 PIK3CG 2663/4885PIK3CA 3044/4885TRPV1 163/4885

“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.