SCHEMBL5245653

SCHEMBL5245653

Clc1cnc2nc(N3CC[N@@]4CCC3C4)oc2c1

nearest known ligand 0.86

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.86
HTR3A P46098 7/20 0.86
CHRNA7 P36544 4/20 0.86
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 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
SCHEMBL5245647 1.00 KCNH2 (0.86) KCNH2HTR3ACHRNA7CHRM4CHRM5
Hydrochloric Acid SCHEMBL6007737 0.99 KCNH2 (0.84) KCNH2HTR3ACHRNA7CHRM4CHRM5
SCHEMBL5305450 0.86 HTR3A (0.65) KCNH2HTR3ACHRNA7CHRM4CHRM5
SCHEMBL5305455 0.86 HTR3A (0.65) KCNH2HTR3ACHRNA7CHRM4CHRM5
SCHEMBL5249204 0.85 HTR3A (0.86) KCNH2HTR3ACHRNA7CHRM4CHRM5
SCHEMBL5249206 0.85 HTR3A (0.86) KCNH2HTR3ACHRNA7CHRM4CHRM5
Hydrochloric Acid SCHEMBL6009359 0.84 HTR3A (0.84) KCNH2HTR3ACHRNA7CHRM4CHRM5
Hydrochloric Acid SCHEMBL6009355 0.84 HTR3A (0.84) KCNH2HTR3ACHRNA7CHRM4CHRM5
SCHEMBL5301616 0.82 HTR3A (0.60) KCNH2HTR3ACHRNA7CHRM4CHRM5
SCHEMBL5251598 0.82 HTR3A (0.60) KCNH2HTR3ACHRNA7CHRM4CHRM5

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-2006051410-A1 AZABENZOXAZOLES 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-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 KCNH2 451/4885HTR3A 238/4885CHRNA7 1/4885

“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.