SCHEMBL3765158

SCHEMBL3765158

NC(=O)C(=O)N1CCN(C(=O)c2ccccc2OC(F)(F)F)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.57
MGLL Q99685 2/20 0.55
HTT P42858 1/20 0.49
MAPK8 P45983 1/20 0.48
MAPK10 P53779 1/20 0.48
CACNA1B Q00975 2/20 0.47
HCRTR1 O43613 2/20 0.47
HCRTR2 O43614 2/20 0.47
TSHR P16473 3/20 0.45
LMNA P02545 3/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL29944453 0.83 HSD11B1 (0.62) HSD11B1MGLLHTTMAPK8MAPK10
SCHEMBL3765161 0.83 HSD11B1 (0.56) HSD11B1MGLLHTTMAPK8MAPK10
SCHEMBL3762374 0.82 HTT (0.73) HSD11B1HTTTSHRLMNAALDH1A1
SCHEMBL2820604 0.79 SCD (0.58) HSD11B1MGLL
SCHEMBL11888839 0.78 HSD11B1 (0.54) HSD11B1MGLLHTTMAPK8MAPK10
SCHEMBL3753419 0.77 TSHR (0.65) HTTTSHRLMNAMEN1ALDH1A1
SCHEMBL3661733 0.76 HSD11B1 (0.61) HSD11B1MGLLMAPK8MAPK10CACNA1B
SCHEMBL4245060 0.76 HSD11B1 (0.61) HSD11B1MGLLMAPK8MAPK10CACNA1B
SCHEMBL11889009 0.76 HSD11B1 (0.55) HSD11B1MGLLHTTMAPK8MAPK10
SCHEMBL3756961 0.75 NPSR1 (0.47) HTTTSHRLMNAMEN1ALDH1A1

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 HSD11B1 541/4885MGLL 155/4885HTT 3358/4885

“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.