SCHEMBL1878352

SCHEMBL1878352

BrCCCC#Cc1cc(C#CCCCBr)cc(C#CCCCBr)c1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.39
CHRNA10 Q9GZZ6 2/20 0.39
CHRNA9 Q9UGM1 2/20 0.39

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
SCHEMBL15242149 0.88 CHRNA7 (0.33) CHRNA7CHRNA10CHRNA9
SCHEMBL2179678 0.87 HTR2C (0.38) CHRNA7CHRNA10CHRNA9
SCHEMBL1315019 0.81 APP (0.50)
SCHEMBL14465889 0.80
SCHEMBL2800429 0.80 CHRNB2 (0.39) CHRNA7CHRNA10CHRNA9
SCHEMBL2180140 0.79 CYP1A2 (0.50) CHRNA7CHRNA10CHRNA9
SCHEMBL1875968 0.75 GABRP (0.41) CHRNA7CHRNA10CHRNA9
SCHEMBL3348718 0.73 CYP1A2 (0.47) CHRNA7CHRNA10CHRNA9
SCHEMBL18112925 0.72 APP (0.47)
SCHEMBL2799266 0.72 KDM4E (0.43) 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 24 patents — showing the first 20. 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-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-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-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-20130231366-A1 Use of a Novel Alpha-7 Nachr Antagonist to Suppress Pathogenic Signal Transduction in Cancer and Aids UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2013-09-05 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-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-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
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
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
US-20100179186-A1 USE OF A NOVEL ALPHA-7 nAChR ANTAGONIST TO SUPPRESS PATHOGENIC SIGNAL TRANSDUCTION IN CANCER AND AIDS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-07-15 US disclosed
US-20100179186-A1 USE OF A NOVEL ALPHA-7 nAChR ANTAGONIST TO SUPPRESS PATHOGENIC SIGNAL TRANSDUCTION IN CANCER AND AIDS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-07-15 US disclosed
WO-2007076112-A2 TRIS-QUATERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS UNIVERSITY OF KENTUCKY (US) 2007-07-05 WO 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 (5 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-20100179186-A1 USE OF A NOVEL ALPHA-7 nAChR ANTAGONIST TO SUPPRESS PATHOGENIC SIGNAL TRANSDUCTION IN CANCER AND AIDS CHRNA7, CHRNG, CHRNE CHRNA7 1/4885CHRNA10 8/4885CHRNA9 13/4885
US-20130231366-A1 Use of a Novel Alpha-7 Nachr Antagonist to Suppress Pathogenic Signal Transduction in Cancer and Aids CHRNA7, CHRNG, CHRNE CHRNA7 1/4885CHRNA10 8/4885CHRNA9 13/4885
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.