SCHEMBL1222665

SCHEMBL1222665

O=C(NCC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.57
SLC6A7 Q99884 5/20 0.55
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
HPGD P15428 2/20 0.51
TSHR P16473 2/20 0.51
POLB P06746 2/20 0.50
MAPK1 P28482 1/20 0.50
RAB9A P51151 1/20 0.50
PRKAB2 O43741 1/20 0.50
PRKAG1 P54619 1/20 0.50
PRKAA2 P54646 1/20 0.50
PRKAA1 Q13131 1/20 0.50
PRKAG3 Q9UGI9 1/20 0.50
PRKAG2 Q9UGJ0 1/20 0.50
PRKAB1 Q9Y478 1/20 0.50
CHRM4 P08173 1/20 0.50
FASN P49327 1/20 0.49
CD274 Q9NZQ7 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL1222690 0.90 KMT2A (0.60) SLC6A7KMT2AMEN1HPGDTSHR
SCHEMBL1222437 0.88 SCN5A (0.47) SIGMAR1SLC6A7KMT2AMEN1TSHR
SCHEMBL1221347 0.88 KMT2A (0.62) SLC6A7KMT2AMEN1HPGDTSHR
SCHEMBL1221914 0.86 MAPK8 (0.50) KMT2AMEN1MAPK1RAB9ACHRM4
SCHEMBL1221609 0.86 SCD (0.49) SIGMAR1SLC6A7KMT2ARAB9ACHRM4
SCHEMBL1221769 0.85 SCD (0.60) KMT2ARAB9AEPHX2
SCHEMBL1221397 0.85 MAPK8 (0.51) SIGMAR1KMT2ARAB9ACHRM4SMN1; SMN2
SCHEMBL1221938 0.83 SCD (0.59) SIGMAR1KMT2ARAB9A
SCHEMBL1221214 0.83 KMT2A (0.49) SLC6A7KMT2AMEN1HPGDTSHR
SCHEMBL1222321 0.82 EPHX2 (0.45) KMT2AMEN1HPGDRAB9ACD274

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 SIGMAR1 3409/4885SLC6A7 1945/4885KMT2A 1389/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SIGMAR1 3409/4885SLC6A7 1945/4885KMT2A 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.