SCHEMBL12638043

SCHEMBL12638043

Cc1cc(C)c[n+](CCCCCc2cc(CCCCC[n+]3cc(C)cc(C)c3)cc(CCCCC[n+]3cc(C)cc(C)c3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 4/20 0.49
▸ CHRNA10 Q9GZZ6 4/20 0.49
▸ CHRNA9 Q9UGM1 4/20 0.49
▸ PTGS2 P35354 3/20 0.42
▸ HTT P42858 2/20 0.42
▸ CYP3A4 P08684 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4401479 0.89 CHRNA7 (0.47) CHRNA7CHRNA10CHRNA9HTTMAPT
SCHEMBL4401401 0.88 CHRNA7 (0.47) CHRNA7CHRNA10CHRNA9HTTMEN1
SCHEMBL9162381 0.87 HTT (0.52) HTTMEN1MAPTKMT2A
SCHEMBL4403547 0.87 HTT (0.52) HTTMEN1MAPTKMT2A
SCHEMBL9160448 0.87 HTT (0.52) HTTMEN1MAPTKMT2A
Iodide SCHEMBL9154731 0.85 HTT (0.50) HTTMEN1MAPTKMT2A
SCHEMBL9925975 0.85 HTT (0.48) HTTMEN1MAPTKMT2A
SCHEMBL13231513 0.84 CHRNA7 (0.47) CHRNA7CHRNA10CHRNA9HTTMEN1
Water SCHEMBL31247994 0.83 HTT (0.46) HTTMEN1MAPTKMT2A
SCHEMBL30875788 0.83 HTT (0.46) HTTMEN1MAPTKMT2A

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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