SCHEMBL223162

SCHEMBL223162

O=C(CC(=O)N1CCN(C(=O)c2cc(F)ccc2C(F)(F)F)CC1)Nc1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.48
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
TRPV1 Q8NER1 4/20 0.43
SCD O00767 2/20 0.43
HPGDS O60760 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPY2R P49146 2/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
KDM1A O60341 2/20 0.41
MAOA P21397 2/20 0.41

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
SCHEMBL2760471 0.89 SCD (0.47) SMOALDH1A1LMNATRPV1SCD
SCHEMBL221707 0.89 SCD (0.52) ALDH1A1TRPV1SCDSMN1; SMN2NPY2R
SCHEMBL224365 0.88 ALDH1A1 (0.48) SMOALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL223262 0.86 SMN1; SMN2 (0.47) SMOALDH1A1LMNAMAPTHCRTR1
SCHEMBL2820646 0.86 SMO (0.49) SMOTRPV1SCDHPGDSSMN1; SMN2
SCHEMBL2532243 0.82 POLB (0.50) TRPV1SCDNPY2R
SCHEMBL1222426 0.81 SCD (0.48) SMOSCDSMN1; SMN2KDM1AMAOA
SCHEMBL1221107 0.81 SCN5A (0.44) SMOALDH1A1LMNASCDHCRTR1
SCHEMBL225723 0.81 ALDH1A1 (0.60) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL224366 0.81 MEN1 (0.60) MAPT

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 15 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 claimed
US-8039463-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-18 US claimed
EP-2307023-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-04-13 EP claimed
WO-2009117659-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO claimed
US-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US claimed
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
US-8039463-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-18 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
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
US-20090239848-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 US 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 SMO 1071/4885ALDH1A1 969/4885LMNA 2028/4885
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SMO 1071/4885ALDH1A1 969/4885LMNA 2028/4885

“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.