SCHEMBL3753656

SCHEMBL3753656

NC(=O)C(=O)N1CCN(C(=O)c2cc(C(F)(F)F)ccc2F)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.53
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MAPK1 P28482 1/20 0.51
MAPK8 P45983 2/20 0.46
MAPK10 P53779 2/20 0.46
SLC6A9 P48067 1/20 0.45
SLC6A5 Q9Y345 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
ALOX5AP P20292 5/20 0.43
FEN1 P39748 5/20 0.43
CACNA1B Q00975 1/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL3758836 0.86 CES2 (0.53) KMT2AMEN1MAPK1SLC6A9SLC6A5
SCHEMBL3764364 0.85 KMT2A (0.56) KMT2AMEN1MAPK1MAPK8MAPK10
SCHEMBL3759053 0.83 HDAC8 (0.51) KMT2AMEN1MAPK1ALDH1A1TSHR
SCHEMBL3753660 0.83 EPHX2 (0.52) EPHX2KMT2AMEN1MAPK1MAPK8
SCHEMBL3764369 0.79 MEN1 (0.67) EPHX2KMT2AMEN1ALDH1A1TSHR
SCHEMBL3764255 0.78 HPGD (0.47) KMT2AMEN1TSHR
SCHEMBL3753419 0.77 TSHR (0.65) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL2820773 0.76 HCRTR1 (0.48) EPHX2MAPK1
SCHEMBL4635545 0.76 EPHX2 (0.45) EPHX2KMT2AMEN1MAPK1MAPK8
SCHEMBL1326879 0.74 CES2 (0.52) KMT2AMEN1ALDH1A1TSHRGAA

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 EPHX2 974/4885KMT2A 1389/4885MEN1 4883/4885

“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.