SCHEMBL1221609

SCHEMBL1221609

O=C(NCC(=O)N1CCN(C(=O)c2cc(C(F)(F)F)ccc2C(F)(F)F)CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 3/20 0.49
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
CCR2 P41597 4/20 0.43
EPHX2 P34913 2/20 0.43
CHRM4 P08173 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
SLC6A7 Q99884 1/20 0.42
MAPK8 P45983 1/20 0.42
MAPK10 P53779 1/20 0.42

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
SCHEMBL1222426 0.91 SCD (0.48) SCDRAB9AKMT2ACCR2EPHX2
SCHEMBL1221914 0.90 MAPK8 (0.50) SCDRAB9AKMT2ACCR2EPHX2
SCHEMBL1221769 0.90 SCD (0.60) SCDRAB9AKMT2AEPHX2
SCHEMBL1221397 0.89 MAPK8 (0.51) SCDRAB9AKMT2ACCR2CHRM4
SCHEMBL1222665 0.86 SIGMAR1 (0.57) RAB9AKMT2AEPHX2CHRM4SMN1; SMN2
SCHEMBL1221938 0.85 SCD (0.59) SCDRAB9AKMT2ASIGMAR1MAPK8
SCHEMBL1222464 0.84 RBP4 (0.51) SCDRAB9AKMT2AEPHX2SMN1; SMN2
SCHEMBL1222125 0.83 SCD (0.61) SCDRAB9AKMT2ASMN1; SMN2
SCHEMBL1222241 0.83 SCD (0.54) SCDRAB9AKMT2AEPHX2
SCHEMBL1221084 0.83 SCD (0.51) SCDEPHX2MAPK8MAPK10

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
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 US disclosed
US-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE BISCHOFF ALEXANDER 2011-02-24 US disclosed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US disclosed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US disclosed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO 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 (2 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-20110046134-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SCD 1/4885RAB9A 4065/4885KMT2A 1389/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SCD 1/4885RAB9A 4065/4885KMT2A 1389/4885

“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.