SCHEMBL3765161

SCHEMBL3765161

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.56
MGLL Q99685 2/20 0.54
CACNA1B Q00975 2/20 0.49
MAPK8 P45983 1/20 0.49
MAPK10 P53779 1/20 0.49
HTT P42858 1/20 0.48
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
TSHR P16473 4/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 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
SCHEMBL3765158 0.83 HSD11B1 (0.57) HSD11B1MGLLCACNA1BMAPK8MAPK10
SCHEMBL3762377 0.82 HTT (0.71) HSD11B1HTTTSHRLMNAALDH1A1
SCHEMBL29944453 0.82 HSD11B1 (0.62) HSD11B1MGLLCACNA1BMAPK8MAPK10
SCHEMBL1221946 0.80 CYP2C9 (0.57) HSD11B1MGLLMAPK8MAPK10
Hydrochloric Acid SCHEMBL1221556 0.78 CYP2C9 (0.56) HSD11B1MGLLMAPK8MAPK10
SCHEMBL3753422 0.77 TSHR (0.68) HTTTSHRLMNAALDH1A1KDM4E
SCHEMBL11888839 0.77 HSD11B1 (0.54) HSD11B1MGLLCACNA1BMAPK8MAPK10
SCHEMBL3756964 0.77 NPSR1 (0.47) HTTTSHRLMNAALDH1A1KDM4E
SCHEMBL1221850 0.77 HSD11B1 (0.51) HSD11B1MGLLMAPK8MAPK10LMNA
SCHEMBL3767746 0.77 HSD11B1 (0.51) HSD11B1MGLLCACNA1BMAPK8MAPK10

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-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
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 155/4885CACNA1B 2840/4885

“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.