SCHEMBL1221397

SCHEMBL1221397

O=C(NCC(=O)N1CCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 2/20 0.51
MAPK10 P53779 2/20 0.51
KMT2A Q03164 3/20 0.48
CCR2 P41597 4/20 0.47
SIGMAR1 Q99720 1/20 0.44
CHRM4 P08173 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
SCD O00767 1/20 0.42
CRHR1 P34998 1/20 0.42
SMN1; SMN2 Q16637 2/20 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
SCHEMBL1222512 0.90 MAPK8 (0.49) MAPK8MAPK10KMT2ACCR2SIGMAR1
SCHEMBL1221609 0.89 SCD (0.49) MAPK8MAPK10KMT2ACCR2SIGMAR1
SCHEMBL1221914 0.89 MAPK8 (0.50) MAPK8MAPK10KMT2ACCR2CHRM4
SCHEMBL1221361 0.88 SCN5A (0.52) MAPK8MAPK10KMT2ARAB9ASCD
SCHEMBL1222114 0.88 LMNA (0.50) MAPK8MAPK10KMT2ARAB9ASMN1; SMN2
SCHEMBL1222665 0.85 SIGMAR1 (0.57) KMT2ASIGMAR1CHRM4RAB9ASMN1; SMN2
SCHEMBL1222290 0.85 RAB9A (0.51) KMT2ARAB9ASMN1; SMN2
SCHEMBL1222261 0.84 SMN1; SMN2 (0.45) KMT2ARAB9ASMN1; SMN2
SCHEMBL1221769 0.83 SCD (0.60) KMT2ARAB9ASCD
SCHEMBL223074 0.82 TRPV1 (0.52) MAPK8MAPK10KMT2ATRPV1ALDH1A1

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 8 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
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 MAPK8 3985/4885MAPK10 4000/4885KMT2A 1389/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 MAPK8 3985/4885MAPK10 4000/4885KMT2A 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.