SCHEMBL13334282

SCHEMBL13334282

c1ccc(-c2ccc(CCCCC[n+]3ccccc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.64
CHRNA10 Q9GZZ6 4/20 0.64
CHRNA9 Q9UGM1 4/20 0.64
BCHE P06276 6/20 0.54
ACHE P22303 5/20 0.54

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
Bromide SCHEMBL3311756 0.98 CHRNA7 (0.65) CHRNA7CHRNA10CHRNA9BCHEACHE
SCHEMBL14802084 0.89 BCHE (0.62) CHRNA7CHRNA10CHRNA9BCHEACHE
SCHEMBL13334229 0.88 CHRNA7 (0.55) CHRNA7CHRNA10CHRNA9
Bromide SCHEMBL10456975 0.87 BCHE (0.64) CHRNA7CHRNA10CHRNA9BCHEACHE
Bromide SCHEMBL3313967 0.87 CHRNA7 (0.56) CHRNA7CHRNA10CHRNA9
SCHEMBL25567518 0.85 CHRNA7 (0.50) CHRNA7CHRNA10CHRNA9BCHEACHE
SCHEMBL5282778 0.85 BCHE (0.54) BCHEACHE
SCHEMBL8758357 0.85 BCHE (0.54) BCHEACHE
Bromide SCHEMBL9673297 0.85 BCHE (0.58) CHRNA7CHRNA10CHRNA9BCHEACHE
SCHEMBL13334293 0.84 CHRNA7 (0.73) CHRNA7CHRNA10CHRNA9BCHEACHE

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-9550753-B2 Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2017-01-24 US disclosed
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIV KENTUCKY RES FOUND (US) 2014-12-18 US disclosed
US-8846937-B2 Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-09-30 US disclosed
US-20100113511-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-05-06 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 (2 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-20100113511-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA4, CHRNA5 CHRNA7 8/4885CHRNA10 4/4885CHRNA9 13/4885
US-20140371266-A1 Mono Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA4, CHRNA5 CHRNA7 8/4885CHRNA10 4/4885CHRNA9 13/4885

“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.