SCHEMBL1749232

SCHEMBL1749232

CN(C(=O)O)C1CCN(c2ccc(N)cc2Br)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MAP4K4 O95819 1/20 0.38
HTT P42858 2/20 0.37
ALDH1A1 P00352 1/20 0.37
OPRD1 P41143 2/20 0.37
BTK Q06187 3/20 0.37
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 1/20 0.36
NR4A1 P22736 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
MCHR1 Q99705 1/20 0.35
GFER P55789 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
YWHAG P61981 1/20 0.35

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
SCHEMBL1749402 0.86 GAA (0.47) GAAMAP4K4HTTALDH1A1OPRD1
SCHEMBL1749219 0.85 ALDH1A1 (0.45) GAAMAP4K4HTTALDH1A1OPRD1
SCHEMBL1749216 0.85 ALDH1A1 (0.45) GAAMAP4K4HTTALDH1A1OPRD1
SCHEMBL1750586 0.83 GAA (0.43) GAAMAP4K4BTKKDM4EHSD17B10
SCHEMBL1750144 0.83 EML4 (0.43) GAAHTTALDH1A1KDM4EHSD17B10
SCHEMBL1749278 0.83 GAA (0.40) GAAMAP4K4HTTALDH1A1OPRD1
SCHEMBL2171157 0.83 ALDH1A1 (0.41) GAAMAP4K4HTTALDH1A1OPRD1
SCHEMBL1749695 0.79 MCHR1 (0.49) MAP4K4MCHR1GFERNOTUMNPY5R
SCHEMBL2637307 0.79 MCHR1 (0.49) MAP4K4MCHR1GFERNOTUMNPY5R
SCHEMBL20374465 0.79 ALDH1A1 (0.48) GAAMAP4K4HTTALDH1A1KDM4E

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 1379/4885MAP4K4 1267/4885HTT 1929/4885

“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.