SCHEMBL3759080

SCHEMBL3759080

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNE Q9Y223 1/20 0.47
IRAK4 Q9NWZ3 4/20 0.45
NTRK1 P04629 1/20 0.44
MET P08581 1/20 0.44
CDK2 P24941 1/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DPP4 P27487 2/20 0.43
DPP9 Q86TI2 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SIGMAR1 Q99720 1/20 0.41
LANCL2 Q9NS86 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
TP53 P04637 1/20 0.39
FAAH O00519 1/20 0.38
KCNK3 O14649 1/20 0.37
KCNK9 Q9NPC2 1/20 0.37
TSHR P16473 1/20 0.37

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 0.82 GNE (0.55) GNEIRAK4USP2MAPK1SMN1; SMN2
SCHEMBL5237 0.82 GNE (0.68) GNEUSP2MAPK1SMN1; SMN2L3MBTL1
SCHEMBL3759078 0.81 GNE (0.48) GNEIRAK4USP2MAPK1SMN1; SMN2
SCHEMBL7159 0.81 IRAK4 (0.50) GNEIRAK4USP2MAPK1SMN1; SMN2
SCHEMBL2532948 0.80 GNE (0.66) GNEUSP2MAPK1SMN1; SMN2L3MBTL1
SCHEMBL2594231 0.78 GNE (0.50) GNEIRAK4USP2MAPK1SMN1; SMN2
SCHEMBL30911660 0.78 RAB9A (0.50) GNEMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL30911663 0.78 RAB9A (0.50) GNEMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL1554586 0.78 RAB9A (0.50) GNEMAPK1SMN1; SMN2ALDH1A1HPGD
SCHEMBL10251448 0.78 SIGMAR1 (0.50) GNEUSP2MAPK1SMN1; SMN2L3MBTL1

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 4 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

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 3334/4885IRAK4 4220/4885NTRK1 4599/4885

“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.