SCHEMBL221666

SCHEMBL221666

O=C(CC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)Nc1ccc(OCc2ccccc2)cn1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTR2B P41595 1/20 0.46
MAPK14 Q16539 1/20 0.46
SCD O00767 11/20 0.46
DCTPP1 Q9H773 2/20 0.44
SLC6A7 Q99884 1/20 0.43
TRPV1 Q8NER1 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
SCHEMBL222682 0.84 SCD (0.48) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL223253 0.82 CYP2C9 (0.46) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL1221774 0.77 SCD (0.58) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL1601596 0.76 SCD (0.67) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL1222445 0.75 SCD (0.56) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL1601034 0.74 SCD (0.65) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL225822 0.74 SCD (0.48) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL517909 0.74 SCD (0.51) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL226289 0.74 SCD (0.54) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL221707 0.74 SCD (0.52) CYP2C9CYP2C19HTR2BMAPK14SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2012-01-05 US disclosed
US-8039463-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-18 US disclosed
EP-2307023-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-04-13 EP disclosed
WO-2009117659-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US 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-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 CYP2C9 3031/4885CYP2C19 3176/4885HTR2B 4169/4885
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 CYP2C9 3031/4885CYP2C19 3176/4885HTR2B 4169/4885

“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.