SCHEMBL1749402

SCHEMBL1749402

Cc1cc(N)ccc1N1CCC(N(C)C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
THRB P10828 2/20 0.47
NR4A1 P22736 2/20 0.47
KMT2A Q03164 2/20 0.47
PTK2B Q14289 1/20 0.47
RAD52 P43351 1/20 0.42
GFER P55789 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
BTK Q06187 3/20 0.39
ACACB O00763 5/20 0.39
NPY5R Q15761 1/20 0.38
MAP4K4 O95819 1/20 0.38
HTT P42858 1/20 0.38
OPRD1 P41143 2/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL1749219 0.86 ALDH1A1 (0.45) GAAMAPTALDH1A1GFERACACB
SCHEMBL1749216 0.86 ALDH1A1 (0.45) GAAMAPTALDH1A1GFERACACB
SCHEMBL1749232 0.86 GAA (0.41) GAAMAPTALDH1A1MEN1THRB
SCHEMBL1750144 0.84 EML4 (0.43) GAAMAPTALDH1A1NR4A1HTT
SCHEMBL2171157 0.84 ALDH1A1 (0.41) GAAALDH1A1NR4A1ACACBNPY5R
SCHEMBL1749278 0.84 GAA (0.40) GAAMAPTALDH1A1MEN1THRB
SCHEMBL1750586 0.84 GAA (0.43) GAAMAPTBTKACACBMAP4K4
SCHEMBL10036162 0.84 ALDH1A1 (0.54) GAAMAPTALDH1A1MEN1THRB
SCHEMBL1748830 0.81 NOTUM (0.36) GAAMAPTALDH1A1MEN1NR4A1
SCHEMBL2637307 0.80 MCHR1 (0.49) GFERNPY5RMAP4K4MCHR1

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-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
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 (2 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 1379/4885MAPT 4824/4885ALDH1A1 286/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 GAA 1364/4885MAPT 4800/4885ALDH1A1 374/4885

“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.