SCHEMBL3759078

SCHEMBL3759078

NC(=O)C(=O)N1CCN(C(=O)c2cccc(Br)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNE Q9Y223 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
MAPK1 P28482 2/20 0.45
USP2 O75604 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LANCL2 Q9NS86 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TP53 P04637 1/20 0.40
IRAK4 Q9NWZ3 3/20 0.39
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.38
GRM5 P41594 1/20 0.37
DPP4 P27487 1/20 0.37
DPP9 Q86TI2 1/20 0.37
FAAH O00519 1/20 0.36
HSD11B1 P28845 1/20 0.36
GAA P10253 2/20 0.36
RAB9A P51151 1/20 0.36
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36

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
SCHEMBL1579475 0.83 GNE (0.55) GNESMN1; SMN2MAPK1USP2L3MBTL1
SCHEMBL5237 0.83 GNE (0.68) GNESMN1; SMN2MAPK1USP2L3MBTL1
SCHEMBL7159 0.82 IRAK4 (0.50) GNESMN1; SMN2MAPK1USP2L3MBTL1
SCHEMBL2532948 0.81 GNE (0.66) GNESMN1; SMN2MAPK1USP2L3MBTL1
SCHEMBL3759080 0.81 GNE (0.47) GNESMN1; SMN2MAPK1USP2L3MBTL1
SCHEMBL2594231 0.79 GNE (0.50) GNESMN1; SMN2MAPK1USP2L3MBTL1
SCHEMBL30911660 0.79 RAB9A (0.50) GNESMN1; SMN2MAPK1ALDH1A1TP53
SCHEMBL1554586 0.79 RAB9A (0.50) GNESMN1; SMN2MAPK1ALDH1A1TP53
SCHEMBL30911663 0.79 RAB9A (0.50) GNESMN1; SMN2MAPK1ALDH1A1TP53
SCHEMBL10251448 0.79 SIGMAR1 (0.50) GNESMN1; SMN2MAPK1USP2L3MBTL1

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 GNE 3334/4885SMN1; SMN2 4076/4885MAPK1 4118/4885

“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.