SCHEMBL1749671

SCHEMBL1749671

CCN(CC)CCN[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SIRT6 Q8N6T7 1/20 0.42
HTR7 P34969 1/20 0.42
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1749672 1.00 MAPT (0.50) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL4333368 0.84 MAPT (0.52) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL1749909 0.78 MAPT (0.56) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL1749907 0.78 MAPT (0.56) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL4347097 0.76 MAPT (0.58) MAPTALDH1A1MEN1KMT2ASIRT6
SCHEMBL1750104 0.75 MAPT (0.53) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL1750106 0.75 MAPT (0.53) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL1749339 0.75 MAPT (0.53) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL1749338 0.75 MAPT (0.53) MAPTALDH1A1MAPK1MEN1KMT2A
SCHEMBL5202386 0.75 MAOA (0.52) MAPTALDH1A1MAPK1MEN1KMT2A

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 6 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
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP 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
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO 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.