SCHEMBL5332678

SCHEMBL5332678

c1cnc2nc(N3CC[N@@]4CCC3C4)oc2c1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.85
CHRNA7 P36544 4/20 0.85
HRH3 Q9Y5N1 1/20 0.56
KCNH2 Q12809 5/20 0.55
CHRM4 P08173 1/20 0.55
CHRM5 P08912 1/20 0.55
CHRM1 P11229 1/20 0.55
CHRM3 P20309 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55

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
SCHEMBL6007645 1.00 HTR3A (0.85) HTR3ACHRNA7HRH3KCNH2CHRM4
SCHEMBL5332674 1.00 HTR3A (0.85) HTR3ACHRNA7HRH3KCNH2CHRM4
Hydrochloric Acid SCHEMBL6006772 0.99 HTR3A (0.83) HTR3ACHRNA7HRH3KCNH2CHRM4
SCHEMBL4699052 0.92 HTR3A (1.00) HTR3ACHRNA7KCNH2CHRM4CHRM5
SCHEMBL5247514 0.80 HTR3A (0.85) HTR3ACHRNA7KCNH2CHRM4CHRM5
SCHEMBL5247520 0.80 HTR3A (0.85) HTR3ACHRNA7KCNH2CHRM4CHRM5
SCHEMBL5909648 0.80 CHRNA7 (0.55) HTR3ACHRNA7KCNH2CHRM4CHRM5
SCHEMBL5909647 0.80 CHRNA7 (0.55) HTR3ACHRNA7KCNH2CHRM4CHRM5
SCHEMBL5251450 0.79 HTR3A (0.58) HTR3ACHRNA7HRH3KCNH2
SCHEMBL5251454 0.79 HTR3A (0.58) HTR3ACHRNA7HRH3KCNH2

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
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-2006051410-A1 AZABENZOXAZOLES 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 HTR3A 238/4885CHRNA7 1/4885HRH3 160/4885

“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.