SCHEMBL6719932

SCHEMBL6719932

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.56
ACHE P22303 1/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 5/20 0.51
SIRT6 Q8N6T7 2/20 0.49
LMNA P02545 1/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.45
POLB P06746 1/20 0.45
ADRB1 P08588 1/20 0.45

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
SCHEMBL8448356 1.00 HRH3 (0.56) HRH3ACHEMEN1KMT2AMAPT
SCHEMBL6712162 0.95 MAPT (0.54) HRH3ACHEMEN1KMT2AMAPT
SCHEMBL6605777 0.85 ALDH1A1 (0.48) HRH3ACHEMEN1KMT2AMAPT
SCHEMBL6493247 0.85 MAPT (0.56) HRH3MEN1KMT2AMAPTSIRT6
SCHEMBL12803097 0.82 ACHE (0.53) HRH3ACHEMEN1KMT2AMAPT
SCHEMBL12803100 0.82 ACHE (0.53) HRH3ACHEMEN1KMT2AMAPT
SCHEMBL9984463 0.82 MAPT (0.46) HRH3ACHEMEN1KMT2AMAPT
SCHEMBL15828757 0.80 MAPT (0.49) HRH3MEN1KMT2AMAPTSIRT6
SCHEMBL6712849 0.80 MAPT (0.47) HRH3ACHEMEN1KMT2AMAPT
SCHEMBL13292851 0.80 KMT2A (0.50) HRH3MEN1KMT2AMAPTSIRT6

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 8 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-20040088799-A1 Oxidation dyeing composition based on 1-(4-aminophenyl) pyrrolidines substituted in position 2 L'OREAL S.A. (FR) 2004-05-13 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
EP-1341509-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITION 2 L'OREAL (FR) 2003-09-10 EP disclosed
WO-2002045670-A1 OXIDATION DYEING COMPOSITION BASED ON 1-(4-AMINOPHENYL) PYRROLIDINES SUBSTITUTED IN POSITION 2 L'OREAL (FR) 2002-06-13 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 (6 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-20040088799-A1 Oxidation dyeing composition based on 1-(4-aminophenyl) pyrrolidines substituted in position 2 PYCR1, COX5A, COX5B HRH3 1675/4885ACHE 3972/4885MEN1 4624/4885
US-20030212070-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC HRH3 615/4885ACHE 274/4885MEN1 3604/4885
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC HRH3 615/4885ACHE 274/4885MEN1 3604/4885
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC HRH3 615/4885ACHE 274/4885MEN1 3604/4885
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC HRH3 615/4885ACHE 274/4885MEN1 3604/4885
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC HRH3 615/4885ACHE 274/4885MEN1 3604/4885

“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.