SCHEMBL3763863

SCHEMBL3763863

NC(=O)C(=O)N1CCN(C(=O)c2ccnc(Cl)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 2/20 0.50
GFER P55789 1/20 0.46
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
STAT3 P40763 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AKR1C3 P42330 1/20 0.40
SLC6A7 Q99884 1/20 0.40
SMYD3 Q9H7B4 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL6179175 0.83 PROKR1 (0.53) PROKR1GFERKDM4EPKMALDH1A1
SCHEMBL939096 0.83 PROKR1 (0.63) PROKR1GFERKDM4EALDH1A1HPGD
SCHEMBL937205 0.83 PROKR1 (0.63) PROKR1GFERKDM4EPKMALDH1A1
SCHEMBL4059188 0.82 POLB (0.59) PROKR1GFERKDM4EALDH1A1HPGD
SCHEMBL1859158 0.81 PROKR1 (0.61) PROKR1GFERALDH1A1HPGDMEN1
SCHEMBL30667713 0.81 PROKR1 (0.61) PROKR1GFERALDH1A1HPGDMEN1
SCHEMBL3763865 0.81 PROKR1 (0.49) PROKR1GFERKDM4EPKMALDH1A1
SCHEMBL7235339 0.81 PROKR1 (0.51) PROKR1GFERKDM4EPKMALDH1A1
SCHEMBL3765874 0.79 RAB9A (0.61) ALDH1A1HPGDSMN1; SMN2
SCHEMBL4733127 0.79 PROKR1 (0.56) PROKR1GFERALDH1A1HPGDMAPT

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 PROKR1 4213/4885GFER 1641/4885KDM4E 434/4885

“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.