SCHEMBL69750

SCHEMBL69750

O=C(NCC(=O)N1CCC(Nc2ccccc2C(F)(F)F)CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.49
EPHX2 P34913 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
CCR2 P41597 3/20 0.45
RBP4 P02753 1/20 0.45
TAOK1 Q7L7X3 1/20 0.44
TAOK3 Q9H2K8 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43

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
SCHEMBL29381924 1.00 SCD (0.56) SCDSMN1; SMN2POLBEPHX2GAA
SCHEMBL70026 0.90 SCD (0.54) SCDSMN1; SMN2POLBGAAALDH1A1
SCHEMBL28877654 0.87 SCD (0.61) SCDPOLBRBP4
SCHEMBL68900 0.85 SMN1; SMN2 (0.56) SCDSMN1; SMN2EPHX2RAB9AKMT2A
SCHEMBL29382268 0.85 SMN1; SMN2 (0.56) SCDSMN1; SMN2EPHX2RAB9AKMT2A
SCHEMBL29384876 0.85 SMN1; SMN2 (0.53) SMN1; SMN2POLBGAAALDH1A1RAB9A
SCHEMBL68645 0.85 SMN1; SMN2 (0.53) SMN1; SMN2POLBGAAALDH1A1RAB9A
SCHEMBL70193 0.83 SCD (0.58) SCDSMN1; SMN2EPHX2GAARAB9A
SCHEMBL29384447 0.83 SCD (0.58) SCDSMN1; SMN2EPHX2GAARAB9A
SCHEMBL68730 0.82 SCD5 (0.53) SCDSMN1; SMN2POLBALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP claimed
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
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
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 1/4885SMN1; SMN2 3937/4885POLB 1727/4885

“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.