SCHEMBL223171

SCHEMBL223171

O=C(CC(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)Nc1ccc(N2CCCCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 4/20 0.52
MAPT P10636 8/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 4/20 0.50
LMNA P02545 3/20 0.50
HTT P42858 2/20 0.50
GBA1 P04062 1/20 0.49
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 1/20 0.48
NR4A1 P22736 1/20 0.48
NPY2R P49146 1/20 0.48
TP53 P04637 1/20 0.47
MCL1 Q07820 1/20 0.47
MEN1 O00255 1/20 0.47

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
SCHEMBL226289 0.85 SCD (0.54) SCDMAPTSMN1; SMN2ALDH1A1NPY2R
SCHEMBL221707 0.85 SCD (0.52) SCDSMN1; SMN2ALDH1A1NPY2R
SCHEMBL2740498 0.84 MAPT (0.72) MAPTUSP2TSHRCASP1CASP7
SCHEMBL223003 0.82 SCD (0.52) SCDNPY2R
SCHEMBL1221864 0.81 SCD (0.67) SCDMAPTLMNAGBA1KDM4E
SCHEMBL2532243 0.78 POLB (0.50) SCDKDM4ENPY2RPOLB
SCHEMBL225822 0.77 SCD (0.48) SCDNPY2R
SCHEMBL1655627 0.77 NPY2R (0.50) SCDMAPTUSP2TSHRCASP1
SCHEMBL222665 0.77 SCD (0.46) SCDNPY2R
SCHEMBL224192 0.76 SCD (0.46) SCDNPC1RAB9AGBA1NPY2R

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
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-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 SCD 1/4885MAPT 3595/4885USP2 1123/4885
US-20120004213-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 SCD 1/4885MAPT 3595/4885USP2 1123/4885

“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.