SCHEMBL458637

SCHEMBL458637

O=C(Nc1ccc(Nc2ccccc2)cc1)N1CCC(=Cc2ccccn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
GAA P10253 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.53
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TP53 P04637 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TRPV1 Q8NER1 2/20 0.44
PANK3 Q9H999 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 2/20 0.44

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
SCHEMBL460190 0.84 FAAH (0.56) MAPTSMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL15051927 0.83 NPY5R (0.46) MAPTGAAALDH1A1KDM4ECA12
SCHEMBL15051079 0.83 KDM4E (0.46) MAPTGAASMN1; SMN2HPGDALDH1A1
SCHEMBL459476 0.80 NPY5R (0.44) MAPTGAASMN1; SMN2HPGDALDH1A1
SCHEMBL457743 0.80 PTPN1 (0.44) MAPTGAAALDH1A1KDM4EMAPK1
SCHEMBL460257 0.79 NPC1 (0.64) MAPTSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL458611 0.77 OGA (0.42) GAASMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL459750 0.77 OGA (0.41) MAPTGAAALDH1A1KDM4ERAB9A
SCHEMBL458406 0.75 KDM4E (0.45) MAPTSMN1; SMN2HPGDALDH1A1KDM4E
SCHEMBL458101 0.75 KDM4E (0.45) MAPTSMN1; SMN2HPGDALDH1A1KDM4E

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 MAPT 4841/4885GAA 2192/4885SMN1; SMN2 4361/4885

“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.