SCHEMBL1749643

SCHEMBL1749643

CN(C(=O)O)C1CCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.53
ALDH1A1 P00352 6/20 0.52
MAPK1 P28482 2/20 0.52
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
SIRT6 Q8N6T7 1/20 0.47
MCHR1 Q99705 1/20 0.46
LMNA P02545 2/20 0.46
CCR5 P51681 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL1749642 1.00 MAPT (0.53) MAPTALDH1A1MAPK1POLBCYP2C9
SCHEMBL1749521 0.90 MCHR1 (0.54) MAPTALDH1A1MAPK1POLBCYP2C9
SCHEMBL1748971 0.90 MCHR1 (0.54) MAPTALDH1A1MAPK1POLBCYP2C9
SCHEMBL1749490 0.89 MAPT (0.48) MAPTALDH1A1MAPK1POLBCYP2C9
SCHEMBL1750266 0.85 MAPT (0.49) MAPTALDH1A1MAPK1POLBCYP2C9
SCHEMBL1750267 0.85 MAPT (0.49) MAPTALDH1A1MAPK1POLBCYP2C9
SCHEMBL25046030 0.85 MAPT (0.53) MAPTALDH1A1MAPK1POLBSIRT6
SCHEMBL12005391 0.85 MAPT (0.53) MAPTALDH1A1MAPK1POLBSIRT6
SCHEMBL4297250 0.85 MAPT (0.53) MAPTALDH1A1MAPK1POLBSIRT6
SCHEMBL4351231 0.84 MAPT (0.57) MAPTALDH1A1MAPK1POLBCYP2C9

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 MAPT 4824/4885ALDH1A1 286/4885MAPK1 496/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 MAPT 4800/4885ALDH1A1 374/4885MAPK1 745/4885

“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.