SCHEMBL6716682

SCHEMBL6716682

CC(N)(c1ccc([N+](=O)[O-])cc1)c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
MAPT P10636 7/20 0.45
RAB9A P51151 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 1/20 0.42
LMNA P02545 2/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA5 P30532 1/20 0.42
CHRNA4 P43681 1/20 0.42
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTT P42858 1/20 0.41
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
SCHEMBL2393248 0.83 MAPT (0.50) CYP19A1MAPTRAB9AALDH1A1GAA
SCHEMBL4196221 0.80 CYP19A1 (0.55) CYP19A1CYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL5999494 0.79 CYP19A1 (0.50) CYP19A1CYP11B1CYP11B2LMNACYP1A2
Hydrochloric Acid SCHEMBL20186907 0.79 CYP19A1 (0.53) CYP19A1CYP11B1CYP11B2LMNACYP1A2
SCHEMBL5998626 0.78 CYP19A1 (0.54) CYP19A1CYP11B1CYP11B2LMNACYP1A2
Hydrochloric Acid SCHEMBL27518112 0.77 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2LMNACYP1A2
SCHEMBL6000245 0.76 CYP19A1 (0.49) CYP19A1CYP11B1CYP11B2LMNACYP1A2
Methylamine SCHEMBL10683872 0.72 LMNA (0.56) CYP11B1CYP11B2MAPTRAB9ANPSR1
SCHEMBL3154297 0.71 ALDH1A1 (0.52) ALDH1A1LMNA
Hydrochloric Acid SCHEMBL3928206 0.70 ALDH1A1 (0.50) ALDH1A1LMNA

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 CYP19A1 110/4885CYP11B1 23/4885CYP11B2 18/4885
US-20040192693-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC CYP19A1 110/4885CYP11B1 23/4885CYP11B2 18/4885
US-20040198731-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC CYP19A1 110/4885CYP11B1 23/4885CYP11B2 18/4885
US-20040198733-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC CYP19A1 110/4885CYP11B1 23/4885CYP11B2 18/4885
US-20040198732-A1 Aminoalkyl-substituted aromatic bicyclic compounds, methods for their preparation and their use as pharmaceuticals PER2, CNR2, DDC CYP19A1 110/4885CYP11B1 23/4885CYP11B2 18/4885

“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.