SCHEMBL6712874

SCHEMBL6712874

CC(C)CC1CCCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
HRH3 Q9Y5N1 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
SIRT6 Q8N6T7 1/20 0.42
LMNA P02545 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ACHE P22303 1/20 0.41
PPARG P37231 1/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
GAA P10253 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
SCHEMBL13292851 0.85 KMT2A (0.50) MAPTHRH3ALDH1A1MAPK1SIRT6
SCHEMBL1092846 0.82 MAPT (0.47) MAPTHRH3ALDH1A1MAPK1SIRT6
SCHEMBL6095682 0.82 MAPT (0.47) MAPTHRH3ALDH1A1MAPK1SIRT6
SCHEMBL223024 0.82 MAPT (0.47) MAPTHRH3ALDH1A1MAPK1SIRT6
SCHEMBL5653005 0.82 MAPT (0.47) MAPTHRH3ALDH1A1MAPK1SIRT6
SCHEMBL12006634 0.81 MAPT (0.46) MAPTHRH3ALDH1A1MAPK1SIRT6
SCHEMBL12006635 0.81 MAPT (0.46) MAPTHRH3ALDH1A1MAPK1SIRT6
SCHEMBL791700 0.81 MAPT (0.46) MAPTHRH3ALDH1A1MAPK1SIRT6
SCHEMBL6714741 0.81 ALDH1A1 (0.53) MAPTHRH3ALDH1A1MAPK1SIRT6
Methoxymethane SCHEMBL5822675 0.80 MAPT (0.48) MAPTHRH3ALDH1A1MAPK1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-10-07 US disclosed
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-09-30 US disclosed
US-20030212070-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-11-13 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 (5 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-20030212070-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885HRH3 615/4885ALDH1A1 404/4885
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885HRH3 615/4885ALDH1A1 404/4885
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885HRH3 615/4885ALDH1A1 404/4885
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885HRH3 615/4885ALDH1A1 404/4885
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC MAPT 3514/4885HRH3 615/4885ALDH1A1 404/4885

“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.