SCHEMBL1749320

SCHEMBL1749320

CC(=O)N(C)C1CN(c2ccc(N)cc2)CC1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 6/20 0.44
CASP6 P55212 1/20 0.44
MAPT P10636 8/20 0.36
ALDH1A1 P00352 7/20 0.36
GAA P10253 6/20 0.36
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 3/20 0.36
ADRA2C P18825 1/20 0.36
PTK2B Q14289 1/20 0.36
ESR2 Q92731 1/20 0.36
CDK1 P06493 2/20 0.34
CDK2 P24941 2/20 0.34
MCHR1 Q99705 1/20 0.34
HTT P42858 2/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RAD52 P43351 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL6206887 0.91 GFER (0.38) GFERCASP6MAPTALDH1A1GAA
SCHEMBL6206885 0.91 GFER (0.38) GFERCASP6MAPTALDH1A1GAA
SCHEMBL6206883 0.91 GFER (0.38) GFERCASP6MAPTALDH1A1GAA
SCHEMBL1749109 0.83 MAPT (0.41) GFERCASP6MAPTALDH1A1GAA
SCHEMBL1749111 0.83 MAPT (0.41) GFERCASP6MAPTALDH1A1GAA
SCHEMBL1749110 0.83 MAPT (0.41) GFERCASP6MAPTALDH1A1GAA
SCHEMBL1749513 0.82 GFER (0.49) GFERCASP6MAPTALDH1A1GAA
SCHEMBL6206886 0.79 GFER (0.34) GFERCASP6MAPTGAAKDM4E
SCHEMBL6220961 0.76 MAPT (0.45) GFERCASP6MAPTALDH1A1GAA
SCHEMBL6709078 0.76 MAPT (0.48) GFERCASP6MAPTALDH1A1GAA

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 GFER 823/4885CASP6 2626/4885MAPT 4824/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 GFER 637/4885CASP6 2272/4885MAPT 4800/4885

“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.