SCHEMBL2958669

SCHEMBL2958669

N#Cc1ccc(CCCCN2CC3CN(CCc4c[nH]cn4)CC(C2)O3)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.41
KCNJ1 P48048 4/20 0.41
GRM2 Q14416 1/20 0.39
HRH3 Q9Y5N1 3/20 0.36
HRH1 P35367 2/20 0.36
HRH2 P25021 1/20 0.36
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR1A P08908 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2A P28223 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD2 P14416 3/20 0.33
DRD3 P35462 3/20 0.33
SIGMAR1 Q99720 2/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33

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
SCHEMBL2961476 0.79 HRH3 (0.47) KCNH2KCNJ1GRM2HRH3HRH1
SCHEMBL2969469 0.77 KCNH2 (0.43) KCNH2KCNJ1GRM2HRH3HRH1
SCHEMBL2968056 0.76 KCNH2 (0.46) KCNH2GRM2HRH3HRH1HRH2
SCHEMBL2962586 0.76 HTR1A (0.47) KCNH2KCNJ1GRM2HRH3HRH1
SCHEMBL2963406 0.74 HRH3 (0.49) KCNH2HRH3HRH1HRH2
SCHEMBL2966340 0.74 SIGMAR1 (0.40) KCNH2KCNJ1GRM2HRH3HRH1
SCHEMBL2967590 0.73 KCNH2 (0.44) KCNH2KCNJ1GRM2HRH1HRH2
SCHEMBL2956548 0.73 TSHR (0.40) KCNH2KCNJ1GRM2HRH3HRH1
SCHEMBL2967582 0.72 KCNH2 (0.52) KCNH2KCNJ1HRH3HRH1HRH2
SCHEMBL2962901 0.71 DRD4 (0.46) GRM2TSHRHSD17B10HTR1ADRD4

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559717-A2 Oxabispidine compounds useful in the treatment of cardiac arrythmias AstraZeneca AB (SE) 2005-08-03 EP claimed
EP-1235831-B1 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-03-30 EP claimed
US-20030153564-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB 2003-08-14 US claimed
US-6559143-B1 Class III electrophysiological activity, drugs which prolong the trans-membrane action potential duration and refractoriness, without affecting cardiac conduction ASTRAZENECA AB (SE) 2003-05-06 US claimed
EP-1235831-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-09-04 EP claimed
WO-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 WO claimed
US-7772229-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2010-08-10 US disclosed
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB, (SE) 2009-12-31 US disclosed
US-7351821-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-04-01 US disclosed
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB, SODERTALJE, SWEDEN 2007-05-24 US disclosed
US-7164017-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2007-01-16 US disclosed
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-07-27 US disclosed
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2006-07-27 US disclosed
WO-2003101956-A1 PHARMACEUTICAL COMBINATION ASTRAZENECA AB (SE) 2003-12-11 WO disclosed
WO-2003092720-A1 A COMBINATION PRODUCT COMPRISING AN ANTI-COAGULANT AND ANTI-ARRHYTHMIC OXABISPIDENES ASTRAZENECA AB (SE) 2003-11-13 WO disclosed
WO-2003092721-A1 A COMBINATION PRODUCT COMPRISING MELAGATRAN AND AN ANTI-ARRHYTHMIC OXABISPIDENES ASTRAZENECA AB (SE) 2003-11-13 WO disclosed
US-20030153564-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB 2003-08-14 US disclosed
US-6559143-B1 Class III electrophysiological activity, drugs which prolong the trans-membrane action potential duration and refractoriness, without affecting cardiac conduction ASTRAZENECA AB (SE) 2003-05-06 US disclosed
EP-1235831-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-09-04 EP disclosed
WO-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 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-20030153564-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, RYR1 KCNH2 9/4885KCNJ1 152/4885GRM2 2159/4885
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B KCNH2 11/4885KCNJ1 160/4885GRM2 2842/4885
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNH2 8/4885KCNJ1 158/4885GRM2 3008/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNH2 12/4885KCNJ1 173/4885GRM2 2776/4885
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNH2 8/4885KCNJ1 158/4885GRM2 3008/4885

“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.