SCHEMBL460503

SCHEMBL460503

O=C(Nc1nccs1)N1CCC(NC(=O)N2CCC(=Cc3cc(F)ccc3F)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
SPR P35270 1/20 0.39
GCK P35557 1/20 0.39
FAAH O00519 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 2/20 0.38
USP2 O75604 1/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL460605 0.83 NPC1 (0.43) KMT2AFAAHNPC1
SCHEMBL460471 0.81 NPC1 (0.53) KMT2ATSHRFAAHNPC1USP2
SCHEMBL459347 0.81 ALDH1A1 (0.45) HTTKMT2ATSHRLMNANPC1
SCHEMBL460513 0.80 HPGDS (0.44) GAAKMT2ALMNASMN1; SMN2
SCHEMBL459850 0.79 EPHX2 (0.52) GAAL3MBTL1NPC1
SCHEMBL460112 0.79 KMT2A (0.39) KMT2ATSHRFAAHNPC1USP2
SCHEMBL457742 0.79 ALDH1A1 (0.46) HTTL3MBTL1KMT2ATSHRLMNA
SCHEMBL460136 0.79 ALDH1A1 (0.48) HTTKMT2AMEN1LMNANPC1
SCHEMBL458157 0.79 EPHX2 (0.43) KMT2ATSHRNPC1USP2
SCHEMBL459775 0.79 SRD5A2 (0.44) KMT2ATSHRNPC1USP2

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 CYP2D6 559/4885GAA 2192/4885HTT 4795/4885

“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.