SCHEMBL1749968

SCHEMBL1749968

Cc1cc(N2CCC(N(C)C(=O)O)C2)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
RAD52 P43351 1/20 0.43
MCHR1 Q99705 7/20 0.43
LGMN Q99538 1/20 0.40
THRB P10828 1/20 0.40
NOTUM Q6P988 4/20 0.40
SETD2 Q9BYW2 2/20 0.39
MAP4K4 O95819 1/20 0.38
IP6K1 Q92551 1/20 0.38
NSD2 O96028 1/20 0.37
CHRM4 P08173 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OGFRL1 Q5TC84 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
SCHEMBL1749532 0.89 MCHR1 (0.42) MCHR1LGMNNOTUMMAP4K4IP6K1
SCHEMBL1749372 0.86 NOTUM (0.44) MCHR1NOTUMSETD2MAP4K4NSD2
SCHEMBL1750696 0.86 NOTUM (0.44) MCHR1NOTUMSETD2MAP4K4NSD2
SCHEMBL1749590 0.84 NOTUM (0.51) MCHR1NOTUMCHRM4
SCHEMBL1750140 0.84 GAA (0.49) GAARAD52MCHR1MAP4K4
SCHEMBL4299094 0.84 GAA (0.49) GAARAD52MCHR1MAP4K4
SCHEMBL4253950 0.84 GAA (0.49) GAARAD52MCHR1MAP4K4
SCHEMBL6792109 0.83 AR (0.41) MCHR1LGMNNOTUMMAP4K4CHRM4
SCHEMBL1749695 0.83 MCHR1 (0.49) MCHR1NOTUMMAP4K4CHRM4
SCHEMBL2637307 0.83 MCHR1 (0.49) MCHR1NOTUMMAP4K4CHRM4

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 GAA 1379/4885RAD52 4243/4885MCHR1 1838/4885

“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.