SCHEMBL3048356

SCHEMBL3048356

c1cncc(CCCCCCCCCCCCc2cccnc2)c1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.81
TDP1 Q9NUW8 1/20 0.77
L3MBTL1 Q9Y468 1/20 0.77
CYP2A6 P11509 1/20 0.73
TBXAS1 P24557 7/20 0.70
CHRNA7 P36544 2/20 0.65
HRH4 Q9H3N8 1/20 0.59
HRH3 Q9Y5N1 1/20 0.59
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CHRM2 P08172 1/20 0.55

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
SCHEMBL29485667 1.00 HRH1 (0.81) HRH1TDP1L3MBTL1CYP2A6TBXAS1
SCHEMBL29485634 1.00 HRH1 (0.81) HRH1TDP1L3MBTL1CYP2A6TBXAS1
SCHEMBL2845851 1.00 HRH1 (0.81) HRH1TDP1L3MBTL1CYP2A6TBXAS1
SCHEMBL725483 1.00 HRH1 (0.81) HRH1TDP1L3MBTL1CYP2A6TBXAS1
SCHEMBL8658187 1.00 HRH1 (0.81) HRH1TDP1L3MBTL1CYP2A6TBXAS1
SCHEMBL29485675 0.98 TDP1 (0.80) HRH1TDP1L3MBTL1CYP2A6TBXAS1
SCHEMBL724788 0.98 TDP1 (0.80) HRH1TDP1L3MBTL1CYP2A6TBXAS1
SCHEMBL12040598 0.94 HRH1 (0.72) HRH1TDP1L3MBTL1CYP2A6TBXAS1
SCHEMBL13098626 0.94 HRH1 (0.72) HRH1TDP1L3MBTL1CYP2A6TBXAS1
SCHEMBL2843094 0.93 CYP2A6 (0.76) HRH1TDP1L3MBTL1CYP2A6TBXAS1

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-9649301-B2 Bis-quaternary ammonium cyclophane compounds that interact with neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2017-05-16 US disclosed
US-9649301-B2 Bis-quaternary ammonium cyclophane compounds that interact with neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2017-05-16 US disclosed
US-9649301-B2 Bis-quaternary ammonium cyclophane compounds that interact with neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2017-05-16 US disclosed
US-9540327-B2 Bis-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2017-01-10 US disclosed
US-9540327-B2 Bis-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2017-01-10 US disclosed
US-9540327-B2 Bis-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2017-01-10 US disclosed
US-20150352088-A1 Bis-Quaternary Ammonium Cyclophane Compounds that Interact with Neuronal Nicotinic Acetylcholine Receptors UNIV KENTUCKY RES FOUND (US) 2015-12-10 US disclosed
US-20150352088-A1 Bis-Quaternary Ammonium Cyclophane Compounds that Interact with Neuronal Nicotinic Acetylcholine Receptors UNIV KENTUCKY RES FOUND (US) 2015-12-10 US disclosed
US-20150352088-A1 Bis-Quaternary Ammonium Cyclophane Compounds that Interact with Neuronal Nicotinic Acetylcholine Receptors UNIV KENTUCKY RES FOUND (US) 2015-12-10 US disclosed
US-20140080859-A1 Bis-Quaternary Ammonium Cyclophane Compounds that Interact with Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-03-20 US disclosed
US-8653275-B2 Bis-quaternary ammonium cyclophane compounds that interact with neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-02-18 US disclosed
US-20100222377-A1 BIS-QUATERNARY AMMONIUM CYCLOPHANE COMPOUNDS THAT INTERACT WITH NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-09-02 US disclosed
US-20100222377-A1 BIS-QUATERNARY AMMONIUM CYCLOPHANE COMPOUNDS THAT INTERACT WITH NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-09-02 US disclosed
US-20100222377-A1 BIS-QUATERNARY AMMONIUM CYCLOPHANE COMPOUNDS THAT INTERACT WITH NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-09-02 US disclosed
US-20090318503-A1 BIS-QUATERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2009-12-24 US disclosed
US-20090318503-A1 BIS-QUATERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2009-12-24 US disclosed
US-20090318503-A1 BIS-QUATERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2009-12-24 US disclosed
WO-2007133614-A2 BIS-QUATERNARY AMMONIUM CYCLOPHANE COMPOUNDS THAT INTERACT WITH NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS UNIVERSITY OF KENTUCKY (US) 2007-11-22 WO disclosed
WO-2007094912-A2 BIS-QUATERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS UNIVERSITY OF KENTUCKY (US) 2007-08-23 WO disclosed
WO-2007094912-A2 BIS-QUATERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS UNIVERSITY OF KENTUCKY (US) 2007-08-23 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 (4 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-20090318503-A1 BIS-QUATERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA2, CHRNA5, CHRNA4 HRH1 367/4885TDP1 1731/4885L3MBTL1 3428/4885
US-20140080859-A1 Bis-Quaternary Ammonium Cyclophane Compounds that Interact with Neuronal Nicotinic Acetylcholine Receptors CHRNG, CHRNA10, CHRNA4 HRH1 364/4885TDP1 1517/4885L3MBTL1 3853/4885
US-20100222377-A1 BIS-QUATERNARY AMMONIUM CYCLOPHANE COMPOUNDS THAT INTERACT WITH NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS CHRNG, CHRNA10, CHRNA4 HRH1 364/4885TDP1 1517/4885L3MBTL1 3853/4885
US-20150352088-A1 Bis-Quaternary Ammonium Cyclophane Compounds that Interact with Neuronal Nicotinic Acetylcholine Receptors CHRNG, CHRNA10, CHRNA4 HRH1 364/4885TDP1 1517/4885L3MBTL1 3853/4885

“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.