SCHEMBL1749835

SCHEMBL1749835

CN(C(=O)O)C1CCN(c2ccc(N)c(Cl)n2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.51
P2RX7 Q99572 3/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
HRH4 Q9H3N8 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
PDE10A Q9Y233 3/20 0.38
CHRM4 P08173 1/20 0.37
BTK Q06187 1/20 0.37
JAK1 P23458 2/20 0.37
JAK2 O60674 1/20 0.36
MCHR1 Q99705 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
SCHEMBL23089346 0.81 MAP4K4 (0.50) MAP4K4OPRM1OPRD1OPRK1OGFRL1
SCHEMBL23089343 0.81 MAP4K4 (0.50) MAP4K4OPRM1OPRD1OPRK1OGFRL1
SCHEMBL1775506 0.79 LMNA (0.56) MAP4K4HRH4HRH3
SCHEMBL6023882 0.79 LMNA (0.56) MAP4K4HRH4HRH3
SCHEMBL5076739 0.79 LMNA (0.56) MAP4K4HRH4HRH3
SCHEMBL1750255 0.78 MAP4K4 (0.50) MAP4K4OPRD1CHRM4BTKMCHR1
SCHEMBL528447 0.78 MAP4K4 (0.50) MAP4K4OPRD1CHRM4BTKMCHR1
SCHEMBL1749517 0.75 NOTUM (0.41) MAP4K4OPRM1OPRD1OPRK1OGFRL1
SCHEMBL1750528 0.74 MAP4K4 (0.43) MAP4K4OPRD1CHRM4BTKJAK1
SCHEMBL4886210 0.73 MAP4K4 (0.45) MAP4K4CHRM4JAK2MCHR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 MAP4K4 1267/4885P2RX7 287/4885OPRM1 404/4885

“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.