SCHEMBL6392175

SCHEMBL6392175

O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1ccc2[nH]ncc2c1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.61
ROCK2 O75116 5/20 0.58
ROCK1 Q13464 2/20 0.58
MAPK14 Q16539 1/20 0.53
MAOB P27338 4/20 0.44
CCNC P24863 1/20 0.43
CDK8 P49336 1/20 0.43
AKT1 P31749 1/20 0.42

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
SCHEMBL6392170 1.00 CHRNA7 (0.61) CHRNA7ROCK2ROCK1MAPK14MAOB
SCHEMBL6395366 0.91 CHRNA7 (0.58) CHRNA7ROCK2ROCK1MAPK14MAOB
SCHEMBL6395358 0.91 CHRNA7 (0.58) CHRNA7ROCK2ROCK1MAPK14MAOB
SCHEMBL6388686 0.86 CHRNA7 (0.51) CHRNA7ROCK2ROCK1MAPK14MAOB
SCHEMBL5407984 0.82 MAPK14 (0.72) ROCK2ROCK1MAPK14MAOB
SCHEMBL6482341 0.82 CHRNA7 (0.63) CHRNA7MAPK14MAOB
SCHEMBL6481419 0.82 CHRNA7 (0.63) CHRNA7MAPK14MAOB
SCHEMBL6388950 0.81 ROCK2 (0.57) CHRNA7ROCK2ROCK1MAPK14MAOB
SCHEMBL6392138 0.81 CHRNA7 (0.67) CHRNA7
SCHEMBL6392146 0.81 CHRNA7 (0.67) CHRNA7

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-6849620-B2 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PFIZER INC (US) 2005-02-01 US claimed
US-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-09-18 US claimed
US-6849620-B2 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PFIZER INC (US) 2005-02-01 US disclosed
US-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-09-18 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 (1 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-20030176702-A1 N-(azabicyclo moieties)-substituted hetero-bicyclic aromatic compounds for the treatment of disease CYP1B1, ABCB1, NAT1 CHRNA7 1187/4885ROCK2 4353/4885ROCK1 4295/4885

“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.