SCHEMBL83265

SCHEMBL83265

N#Cc1cccc(-n2cc(C(=O)NCC(=O)N3CCC(Oc4cccc(C(F)(F)F)c4)CC3)nn2)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 2/20 0.52
DDT P30046 2/20 0.46
EPHX2 P34913 2/20 0.42
ELANE P08246 3/20 0.41
GPR119 Q8TDV5 2/20 0.40
NOTUM Q6P988 1/20 0.39
ESRRA P11474 1/20 0.38
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
AURKA O14965 1/20 0.38
MDM2 Q00987 1/20 0.38

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
SCHEMBL83262 0.90 EPHX2 (0.49) DDTEPHX2GPR119ESRRA
SCHEMBL29384868 0.89 DDT (0.48) USP30DDTEPHX2GPR119NOTUM
SCHEMBL70406 0.89 DDT (0.48) USP30DDTEPHX2GPR119NOTUM
SCHEMBL92366 0.89 DDT (0.48) USP30DDTEPHX2GPR119NOTUM
SCHEMBL29385245 0.89 DDT (0.57) DDTEPHX2GPR119ESRRA
SCHEMBL70647 0.89 DDT (0.57) DDTEPHX2GPR119ESRRA
SCHEMBL69976 0.89 USP30 (0.53) USP30EPHX2GPR119NOTUMHRH1
SCHEMBL29382266 0.87 EPHX2 (0.43) USP30DDTEPHX2GPR119
SCHEMBL70940 0.87 EPHX2 (0.43) USP30DDTEPHX2GPR119
SCHEMBL68333 0.85 USP30 (0.49) USP30EPHX2GPR119NOTUMHRH1

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 2 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-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 USP30 1476/4885DDT 1798/4885EPHX2 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.