SCHEMBL12638080

SCHEMBL12638080

Cc1cc[n+](CCCC#Cc2cc(C#CCCC[n+]3ccc(C)c(C)c3)cc(C#CCCC[n+]3ccc(C)c(C)c3)c2)cc1C

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 8/20 0.57
▸ CHRNA10 Q9GZZ6 8/20 0.57
▸ CHRNA9 Q9UGM1 8/20 0.57
▸ CHRNB2 P17787 2/20 0.43
▸ CHRNB4 P30926 2/20 0.43
▸ CHRNA3 P32297 2/20 0.43
▸ CHRNA4 P43681 2/20 0.43

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
SCHEMBL4398929 0.93 CHRNA7 (0.53) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL13231442 0.88 CHRNA7 (0.57) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL12637960 0.83 CHRNA7 (0.55) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL13334266 0.83 CHRNA7 (0.62) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL4400616 0.83 CHRNA7 (0.52) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
Bromide SCHEMBL3310844 0.82 CHRNA7 (0.63) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL4398955 0.82 CHRNA7 (0.64) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
Bromide SCHEMBL16105104 0.81 CHRNA7 (0.57) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL12638052 0.80 CHRNA7 (0.68) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4
SCHEMBL12409003 0.79 CHRNA7 (0.49) CHRNA7CHRNA10CHRNA9CHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940774-B2 Tris-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIV KENTUCKY RES FOUND (US) 2015-01-27 — — US disclosed
US-8940774-B2 Tris-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIV KENTUCKY RES FOUND (US) 2015-01-27 — — US disclosed
US-8703803-B2 Tris-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIV KENTUCKY RES FOUND (US) 2014-04-22 — — US disclosed
US-8703803-B2 Tris-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIV KENTUCKY RES FOUND (US) 2014-04-22 — — US disclosed
US-20140080866-A1 Tris-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-03-20 — — US disclosed
US-20140080866-A1 Tris-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-03-20 — — US disclosed
US-20130030018-A1 Tris-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIV KENTUCKY RES FOUND (US) 2013-01-31 — — US disclosed
US-8299253-B2 Tris-quarternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-10-30 — — US disclosed
US-20110105556-A1 TRIS-QUARTERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-05-05 — — 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 (3 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-20130030018-A1 Tris-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA10, CHRNA5, CHRNA2 CHRNA7 6/4885CHRNA10 1/4885CHRNA9 9/4885
US-20140080866-A1 Tris-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA4, CHRNA2, CHRNA10 CHRNA7 7/4885CHRNA10 3/4885CHRNA9 11/4885
US-20110105556-A1 TRIS-QUARTERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA5, CHRNA10, CHRNA4 CHRNA7 4/4885CHRNA10 2/4885CHRNA9 9/4885

“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.

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