SCHEMBL70193

SCHEMBL70193

O=C(NCC(=O)N1CCC(Oc2ccccc2C(F)(F)F)CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SCD O00767 11/20 0.58
EPHX2 P34913 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL29384447 1.00 SCD (0.58) SCDEPHX2SMN1; SMN2NPC1GAA
SCHEMBL29384518 0.85 SCD (0.55) SCDSMN1; SMN2NPC1GAARAB9A
SCHEMBL70472 0.85 SCD (0.55) SCDSMN1; SMN2NPC1GAARAB9A
SCHEMBL69750 0.83 SCD (0.56) SCDEPHX2SMN1; SMN2NPC1GAA
SCHEMBL29381924 0.83 SCD (0.56) SCDEPHX2SMN1; SMN2NPC1GAA
SCHEMBL29385044 0.82 SCD (0.60) SCDEPHX2
SCHEMBL69074 0.82 SCD (0.60) SCDEPHX2
SCHEMBL69798 0.80 SMN1; SMN2 (0.49) EPHX2SMN1; SMN2NPC1GAARAB9A
SCHEMBL29382080 0.80 SMN1; SMN2 (0.49) EPHX2SMN1; SMN2NPC1GAARAB9A
SCHEMBL69698 0.79 SCD (0.59) SCDEPHX2

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-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
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
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US 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 1/4885EPHX2 1023/4885SMN1; SMN2 3937/4885

“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.