SCHEMBL83262

SCHEMBL83262

O=C(NCC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1)c1cn(-c2ccccc2)nn1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.49
DDT P30046 3/20 0.48
GPR119 Q8TDV5 2/20 0.45
SCD O00767 3/20 0.43
CCR2 P41597 5/20 0.43
ESRRA P11474 1/20 0.42
CNR1 P21554 1/20 0.42
LIPE Q05469 1/20 0.40

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
SCHEMBL70406 0.93 DDT (0.48) EPHX2DDTGPR119SCDCCR2
SCHEMBL92366 0.93 DDT (0.48) EPHX2DDTGPR119SCDCCR2
SCHEMBL29384868 0.93 DDT (0.48) EPHX2DDTGPR119SCDCCR2
SCHEMBL70647 0.92 DDT (0.57) EPHX2DDTGPR119CCR2ESRRA
SCHEMBL29385245 0.92 DDT (0.57) EPHX2DDTGPR119CCR2ESRRA
SCHEMBL83265 0.90 USP30 (0.52) EPHX2DDTGPR119ESRRA
SCHEMBL29382095 0.89 EPHX2 (0.45) EPHX2DDTGPR119SCDCCR2
SCHEMBL69593 0.89 EPHX2 (0.45) EPHX2DDTGPR119SCDCCR2
SCHEMBL29382266 0.87 EPHX2 (0.43) EPHX2DDTGPR119SCDCCR2
SCHEMBL70940 0.87 EPHX2 (0.43) EPHX2DDTGPR119SCDCCR2

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 EPHX2 1023/4885DDT 1798/4885GPR119 691/4885

“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.