SCHEMBL12638121

SCHEMBL12638121

CCCCc1ccc[n+](CCCCCc2cc(CCCCC[n+]3cccc(CCCC)c3)cc(CCCCC[n+]3cccc(CCCC)c3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.61
CHRNA10 Q9GZZ6 4/20 0.61
CHRNA9 Q9UGM1 4/20 0.61
HDAC1 Q13547 2/20 0.57
HDAC4 P56524 1/20 0.56
KDM4E B2RXH2 1/20 0.48
APAF1 O14727 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
RAD52 P43351 1/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GGPS1 O95749 2/20 0.48

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
SCHEMBL13267940 0.94 CHRNA7 (0.53) CHRNA7CHRNA10CHRNA9HDAC1HDAC4
SCHEMBL5305559 0.92 HDAC1 (0.61) CHRNA7CHRNA10CHRNA9HDAC1HDAC4
SCHEMBL5307446 0.92 HDAC1 (0.61) CHRNA7CHRNA10CHRNA9HDAC1HDAC4
SCHEMBL5288953 0.92 HDAC1 (0.61) CHRNA7CHRNA10CHRNA9HDAC1HDAC4
SCHEMBL5293539 0.92 HDAC1 (0.61) CHRNA7CHRNA10CHRNA9HDAC1HDAC4
SCHEMBL5285136 0.92 HDAC1 (0.61) CHRNA7CHRNA10CHRNA9HDAC1HDAC4
SCHEMBL5296636 0.92 HDAC1 (0.61) CHRNA7CHRNA10CHRNA9HDAC1HDAC4
SCHEMBL5303354 0.92 HDAC1 (0.61) CHRNA7CHRNA10CHRNA9HDAC1HDAC4
SCHEMBL5302902 0.92 HDAC1 (0.61) CHRNA7CHRNA10CHRNA9HDAC1HDAC4
SCHEMBL5812874 0.92 HDAC1 (0.61) CHRNA7CHRNA10CHRNA9HDAC1HDAC4

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 8 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-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.