SCHEMBL2820604

SCHEMBL2820604

NC(=O)C(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.58
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTR2B P41595 1/20 0.55
MAPK14 Q16539 1/20 0.55
MGLL Q99685 1/20 0.52
GBA1 P04062 1/20 0.49
HSD11B1 P28845 1/20 0.48
NPY2R P49146 1/20 0.47
P2RX7 Q99572 1/20 0.46
DCTPP1 Q9H773 1/20 0.46

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
SCHEMBL2821970 0.85 MGLL (0.58) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL13282314 0.85 SCD (0.56) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL12894564 0.85 SCD (0.59) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL4262448 0.83 CYP2C9 (0.63) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL14172993 0.82 SCD (0.59) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL27701741 0.82 SCD (0.59) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL13983799 0.82 SCD (0.62) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL3758836 0.82 CES2 (0.53) SCD
SCHEMBL2820773 0.82 HCRTR1 (0.48) SCDCYP2C9CYP2C19MGLLP2RX7
SCHEMBL10304326 0.81 CYP2C9 (0.60) SCDCYP2C9CYP2C19HTR2BMAPK14

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 10 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
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO claimed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 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
WO-2010075356-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-01 WO disclosed
US-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-06-24 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-20100160323-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SCD 1/4885CYP2C9 3031/4885CYP2C19 3176/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SCD 1/4885CYP2C9 3031/4885CYP2C19 3176/4885

“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.