SCHEMBL70242

SCHEMBL70242

O=C(NCC(=O)N1CCC(Oc2cncc(C(F)(F)F)c2)CC1)c1cc(-c2ccccc2)[nH]n1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCD O00767 7/20 0.42
LIPE Q05469 2/20 0.39
EPHX2 P34913 2/20 0.39
SCN9A Q15858 6/20 0.39
EGLN1 Q9GZT9 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CA P42336 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
SCHEMBL29381950 1.00 SCD (0.42) SCDLIPEEPHX2SCN9AEGLN1
SCHEMBL29382083 0.90 EPHX2 (0.49) SCDLIPEEPHX2
SCHEMBL68443 0.90 EPHX2 (0.49) SCDLIPEEPHX2
SCHEMBL69952 0.89 SCD (0.42) SCDLIPEEPHX2SCN9AEGLN1
SCHEMBL29385665 0.89 SCD (0.41) SCDEPHX2
SCHEMBL69306 0.89 SCD (0.41) SCDEPHX2
SCHEMBL70427 0.86 EPHX2 (0.46) SCDEPHX2SCN9A
SCHEMBL29384502 0.86 EPHX2 (0.46) SCDEPHX2SCN9A
SCHEMBL70204 0.85 CCR2 (0.47) SCDEPHX2SCN10A
SCHEMBL29381956 0.85 CCR2 (0.47) SCDEPHX2SCN10A

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 5 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
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 1/4885LIPE 277/4885EPHX2 1023/4885

“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.