SCHEMBL3765838

SCHEMBL3765838

COc1ccc(Br)c(C(=O)N2CCN(C(=O)C(N)=O)CC2C)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPS1 P31327 11/20 0.58
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
GHSR Q92847 5/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
PKM P14618 1/20 0.42
CYP2C19 P33261 1/20 0.42
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL3765841 0.86 CPS1 (0.57) CPS1KMT2AMAPK1GHSRCYP1A2
SCHEMBL12881798 0.85 CPS1 (0.58) CPS1KMT2AMAPK1GHSRDRD2
SCHEMBL3759104 0.84 KMT2A (0.55) CPS1KMT2AMAPK1CYP1A2CYP3A4
Trifluoroacetic Acid SCHEMBL1222878 0.80 CPS1 (0.53) CPS1KMT2AMAPK1GHSRDRD2
SCHEMBL13058915 0.78 CPS1 (0.52) CPS1KMT2AMAPK1
SCHEMBL1221863 0.74 ALDH1A1 (0.47) CPS1KMT2AGHSR
SCHEMBL23389633 0.74 CPS1 (1.00) CPS1
SCHEMBL23389429 0.74 CPS1 (1.00) CPS1
SCHEMBL23389084 0.74 CPS1 (1.00) CPS1
SCHEMBL29824812 0.74 CPS1 (1.00) CPS1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US claimed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US claimed
WO-2008157844-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-12-24 WO claimed
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
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 (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-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 CPS1 138/4885KMT2A 1389/4885MAPK1 4118/4885

“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.