SCHEMBL4402115

SCHEMBL4402115

c1cc[n+](CCCc2cccc(CCC[n+]3ccccc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.50
ACHE P22303 7/20 0.50
CHRNA7 P36544 1/20 0.49
CHRNA10 Q9GZZ6 1/20 0.49
CHRNA9 Q9UGM1 1/20 0.49

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
SCHEMBL8758357 0.87 BCHE (0.54) BCHEACHE
SCHEMBL5282778 0.87 BCHE (0.54) BCHEACHE
SCHEMBL4403538 0.84 HTT (0.50) BCHEACHECHRNA7CHRNA10CHRNA9
Bromide SCHEMBL9673297 0.83 BCHE (0.58) BCHEACHECHRNA7CHRNA10CHRNA9
SCHEMBL4403530 0.81 CHRNA7 (0.77) CHRNA7CHRNA10CHRNA9
SCHEMBL25567518 0.80 CHRNA7 (0.50) BCHEACHECHRNA7CHRNA10CHRNA9
SCHEMBL14802084 0.79 BCHE (0.62) BCHEACHECHRNA7CHRNA10CHRNA9
SCHEMBL4404627 0.78 CHRNA7 (0.71) BCHEACHECHRNA7CHRNA10CHRNA9
SCHEMBL4406234 0.78 CHRNA7 (0.77) BCHEACHECHRNA7CHRNA10CHRNA9
SCHEMBL4407138 0.78 KDM4E (0.53) CHRNA7CHRNA10CHRNA9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178678-B2 Bis-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-05-15 US disclosed
US-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-03-18 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-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA5, CHRNA4 BCHE 39/4885ACHE 22/4885CHRNA7 7/4885

“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.