SCHEMBL70477

SCHEMBL70477

O=C(NCC(=O)N1CCC(Oc2ccc(F)c(C(F)(F)F)c2)CC1)c1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 10/20 0.46
LIPE Q05469 2/20 0.38
ACACB O00763 1/20 0.38
EPHX2 P34913 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
P2RY12 Q9H244 1/20 0.37
NPC1 O15118 1/20 0.37
GAA P10253 1/20 0.37
RAB9A P51151 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
SCHEMBL29385049 1.00 SCD (0.46) SCDLIPEACACBEPHX2HRH3
SCHEMBL91514 0.88 SCD (0.38) SCDEPHX2P2RY12
SCHEMBL29382083 0.87 EPHX2 (0.49) SCDLIPEEPHX2GAA
SCHEMBL68443 0.87 EPHX2 (0.49) SCDLIPEEPHX2GAA
SCHEMBL29385044 0.87 SCD (0.60) SCDEPHX2
SCHEMBL69074 0.87 SCD (0.60) SCDEPHX2
SCHEMBL69386 0.87 SCD (0.41) SCDP2RY12NPC1RAB9A
SCHEMBL70195 0.86 SCD (0.46) SCDLIPE
SCHEMBL69952 0.86 SCD (0.42) SCDLIPEEPHX2P2RY12
SCHEMBL29382306 0.86 SCD (0.46) SCDLIPE

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SCD 1/4885LIPE 277/4885ACACB 14/4885

“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.