SCHEMBL5249142

SCHEMBL5249142

COc1ncccc1-c1cnc2oc(N3CCN4CCC3CC4)nc2c1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.56
CHRNA7 P36544 2/20 0.47
HTR3A P46098 2/20 0.47

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
SCHEMBL5298446 0.82 KCNH2 (0.62) KCNH2CHRNA7HTR3A
SCHEMBL5248865 0.80 KCNH2 (0.59) KCNH2CHRNA7HTR3A
SCHEMBL4698821 0.80 KCNH2 (0.67) KCNH2CHRNA7HTR3A
SCHEMBL5246025 0.79 KCNH2 (0.55) KCNH2CHRNA7HTR3A
SCHEMBL373497 0.77 CHRNA7 (0.65) KCNH2CHRNA7HTR3A
SCHEMBL5246818 0.76 KCNH2 (0.65) KCNH2CHRNA7HTR3A
SCHEMBL5248418 0.75 KCNH2 (0.67) KCNH2CHRNA7HTR3A
SCHEMBL6139396 0.75 KCNH2 (0.73) KCNH2CHRNA7HTR3A
SCHEMBL5252885 0.74 KCNH2 (0.62) KCNH2CHRNA7HTR3A
Bromide SCHEMBL5674269 0.74 KCNH2 (0.72) KCNH2CHRNA7HTR3A

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
WO-2006051413-A1 AZABENOXAZOLES FOR THE TREATMENT OF CNS DISORDERS PFIZER INC. (US) 2006-05-18 WO claimed
EP-1831683-A1 METHODS OF MODULATING THE ACTIVITIES OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR Pfizer Products Inc. (US) 2007-09-12 EP disclosed
US-20060142349-A1 Methods of modulating the activities of alpha-7 nicotinic acetylcholine receptor PFIZER INC 2006-06-29 US disclosed
WO-2006067611-A1 METHODS OF MODULATING THE ACTIVITIES OF ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR PFIZER PRODUCTS INC. (US) 2006-06-29 WO disclosed
WO-2006051413-A1 AZABENOXAZOLES FOR THE TREATMENT OF CNS DISORDERS PFIZER INC. (US) 2006-05-18 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 (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-20060142349-A1 Methods of modulating the activities of alpha-7 nicotinic acetylcholine receptor CHRNA7, CHRNA5, CHRNA4 KCNH2 451/4885CHRNA7 1/4885HTR3A 238/4885

“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.