SCHEMBL69801

SCHEMBL69801

O=C(NCC(=O)N1CCC(Oc2cc(F)ccc2F)C1)c1cc(-c2ccccc2)on1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 6/20 0.48
HIF1A Q16665 3/20 0.47
SCD O00767 1/20 0.45
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KCNH2 Q12809 1/20 0.43
MCHR1 Q99705 1/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HTT P42858 1/20 0.42
USP30 Q70CQ3 1/20 0.41
ACKR3 P25106 2/20 0.41

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
SCHEMBL29384598 1.00 SCD5 (0.48) SCD5HIF1ASCDLMNAKMT2A
SCHEMBL70393 0.84 SCD (0.40) SCD
SCHEMBL29384261 0.84 SCD (0.40) SCD
SCHEMBL70597 0.82 SCD5 (0.54) SCD5HIF1ASCDLMNAKMT2A
SCHEMBL29385533 0.82 SCD5 (0.54) SCD5HIF1ASCDLMNAKMT2A
SCHEMBL70545 0.79 SCD (0.45) SCD
SCHEMBL69441 0.78 RAB9A (0.53) SCD5SCDNPC1RAB9AHDAC6
SCHEMBL29382319 0.76 USP30 (0.44) SCDUSP30
SCHEMBL69037 0.76 USP30 (0.44) SCDUSP30
SCHEMBL69757 0.75 SCD5 (0.57) SCD5HIF1ASCDLMNAKMT2A

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
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 SCD5 2/4885HIF1A 1520/4885SCD 1/4885

“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.