SCHEMBL70647

SCHEMBL70647

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

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDT P30046 3/20 0.57
EPHX2 P34913 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR119 Q8TDV5 3/20 0.43
P2RY12 Q9H244 1/20 0.41
CCR2 P41597 2/20 0.40
KCNH2 Q12809 1/20 0.40
ESRRA P11474 1/20 0.40
ACKR3 P25106 1/20 0.40
RXRA P19793 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL29385245 1.00 DDT (0.57) DDTEPHX2MEN1KMT2AGPR119
SCHEMBL83262 0.92 EPHX2 (0.49) DDTEPHX2GPR119CCR2ESRRA
SCHEMBL29384868 0.92 DDT (0.48) DDTEPHX2GPR119CCR2ESRRA
SCHEMBL70406 0.92 DDT (0.48) DDTEPHX2GPR119CCR2ESRRA
SCHEMBL92366 0.92 DDT (0.48) DDTEPHX2GPR119CCR2ESRRA
SCHEMBL83265 0.89 USP30 (0.52) DDTEPHX2GPR119ESRRA
SCHEMBL69593 0.88 EPHX2 (0.45) DDTEPHX2MEN1KMT2AGPR119
SCHEMBL29382095 0.88 EPHX2 (0.45) DDTEPHX2MEN1KMT2AGPR119
SCHEMBL70091 0.84 EPHX2 (0.47) EPHX2MEN1KMT2ACCR2KCNH2
SCHEMBL29382249 0.84 EPHX2 (0.47) EPHX2MEN1KMT2ACCR2KCNH2

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
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
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
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 1798/4885EPHX2 1023/4885MEN1 4884/4885

“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.