SCHEMBL69380

SCHEMBL69380

O=C(NCC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1)c1cc(-c2cccc(O)c2)[nH]n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.44
SCD O00767 1/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
CCR2 P41597 5/20 0.39
CNR1 P21554 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KCNH2 Q12809 2/20 0.37
CHRM3 P20309 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
SCHEMBL29384762 1.00 EPHX2 (0.44) EPHX2SCDALDH1A1GAAKDM4E
SCHEMBL29384257 0.93 EPHX2 (0.44) EPHX2SCDALDH1A1GAAKDM4E
SCHEMBL70457 0.93 EPHX2 (0.44) EPHX2SCDALDH1A1GAAKDM4E
SCHEMBL68443 0.93 EPHX2 (0.49) EPHX2SCDALDH1A1GAACCR2
SCHEMBL29382083 0.93 EPHX2 (0.49) EPHX2SCDALDH1A1GAACCR2
SCHEMBL70003 0.92 EPHX2 (0.44) EPHX2SCDCCR2CNR1TP53
SCHEMBL29385248 0.92 EPHX2 (0.44) EPHX2SCDCCR2CNR1TP53
SCHEMBL70888 0.91 EPHX2 (0.44) EPHX2SCDCCR2CNR1KCNH2
SCHEMBL68375 0.90 TP53 (0.47) EPHX2SCDCCR2CNR1TP53
SCHEMBL29385015 0.90 TP53 (0.47) EPHX2SCDCCR2CNR1TP53

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 7 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
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 1023/4885SCD 1/4885ALDH1A1 784/4885

“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.