SCHEMBL1749532

SCHEMBL1749532

CN(C(=O)O)C1CCN(c2ccc(N)c(Br)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.42
NOTUM Q6P988 5/20 0.38
MAP4K4 O95819 1/20 0.38
LGMN Q99538 1/20 0.37
IP6K1 Q92551 1/20 0.37
CHRM4 P08173 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
NPY5R Q15761 2/20 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
SCHEMBL1749968 0.89 GAA (0.43) MCHR1NOTUMMAP4K4LGMNIP6K1
SCHEMBL1750696 0.85 NOTUM (0.44) MCHR1NOTUMMAP4K4CHRM4NPY5R
SCHEMBL1749372 0.85 NOTUM (0.44) MCHR1NOTUMMAP4K4CHRM4NPY5R
SCHEMBL1749590 0.83 NOTUM (0.51) MCHR1NOTUMCHRM4
SCHEMBL6792109 0.82 AR (0.41) MCHR1NOTUMMAP4K4LGMNCHRM4
SCHEMBL2637307 0.82 MCHR1 (0.49) MCHR1NOTUMMAP4K4CHRM4NPY5R
SCHEMBL1749695 0.82 MCHR1 (0.49) MCHR1NOTUMMAP4K4CHRM4NPY5R
SCHEMBL14905667 0.80 NPY5R (0.53) MCHR1NOTUMOPRM1OPRD1OPRK1
SCHEMBL1749232 0.78 GAA (0.41) MCHR1NOTUMMAP4K4OPRM1OPRD1
SCHEMBL16422987 0.77 NOTUM (0.58) MCHR1NOTUMCHRM4NPY5R

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 MCHR1 1838/4885NOTUM 2483/4885MAP4K4 1267/4885

“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.