SCHEMBL68613

SCHEMBL68613

O=C(NCC(=O)N1CCC(Oc2cccc(C(F)(F)F)c2)CC1)c1cc(-c2cccc(O)c2)on1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MLLT1 Q03111 5/20 0.51
SCD5 Q86SK9 2/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MLLT3 P42568 1/20 0.45
EPHX2 P34913 1/20 0.44
SCD O00767 1/20 0.42
TP53 P04637 2/20 0.42
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KCNH2 Q12809 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL29385281 1.00 MLLT1 (0.51) MLLT1SCD5NPC1RAB9AALDH1A1
SCHEMBL29384505 0.93 SCD5 (0.49) SCD5NPC1RAB9AALDH1A1EPHX2
SCHEMBL70077 0.93 SCD5 (0.49) SCD5NPC1RAB9AALDH1A1EPHX2
SCHEMBL29384989 0.93 SCD5 (0.57) SCD5NPC1RAB9AEPHX2SCD
SCHEMBL69757 0.93 SCD5 (0.57) SCD5NPC1RAB9AEPHX2SCD
SCHEMBL29384766 0.92 SCD5 (0.48) MLLT1SCD5NPC1RAB9AEPHX2
SCHEMBL67950 0.92 SCD5 (0.48) MLLT1SCD5NPC1RAB9AEPHX2
SCHEMBL29384701 0.90 SCD5 (0.49) SCD5NPC1RAB9AEPHX2SCD
SCHEMBL70400 0.90 SCD5 (0.49) SCD5NPC1RAB9AEPHX2SCD
SCHEMBL29382368 0.87 EPHX2 (0.46) SCD5NPC1RAB9AALDH1A1EPHX2

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 MLLT1 1328/4885SCD5 2/4885NPC1 201/4885

“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.