SCHEMBL71638

SCHEMBL71638

O=C(NCC(=O)N1CC(Oc2cc(F)cc(C(F)(F)F)c2)C1)c1cn(-c2cccnc2)nn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDT P30046 3/20 0.40
SCN9A Q15858 5/20 0.39
CYP1A2 P05177 2/20 0.37
CCR2 P41597 2/20 0.37
USP30 Q70CQ3 2/20 0.35
GPR119 Q8TDV5 1/20 0.34
DGAT1 O75907 1/20 0.34
KCNH2 Q12809 1/20 0.34
NAMPT P43490 1/20 0.34
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34

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
SCHEMBL29384846 1.00 DDT (0.40) DDTSCN9ACYP1A2CCR2USP30
SCHEMBL70415 0.93 SCD (0.41) DDTSCN9ACYP1A2CCR2GPR119
SCHEMBL29382077 0.93 SCD (0.41) DDTSCN9ACYP1A2CCR2GPR119
SCHEMBL71353 0.79 SCD (0.45) GPR119NAMPT
SCHEMBL29384233 0.79 SCD (0.45) GPR119NAMPT
SCHEMBL70223 0.79 USP30 (0.43) SCN9ACCR2USP30
SCHEMBL29385002 0.79 SCD (0.47) USP30
SCHEMBL70138 0.79 SCD (0.47) USP30
SCHEMBL67882 0.77 GPR6 (0.40) CYP1A2CCR2USP30
SCHEMBL29385548 0.77 GPR6 (0.40) CYP1A2CCR2USP30

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
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
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

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 DDT 1798/4885SCN9A 4254/4885CYP1A2 1039/4885

“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.