SCHEMBL2966786

SCHEMBL2966786

N#Cc1ccc(OCCN2CC3CN(CC(=O)c4ccc(F)cc4)CC(C2)O3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.52
GRIN1 Q05586 2/20 0.49
GRIN2B Q13224 2/20 0.49
KCNA5 P22460 4/20 0.45
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
HRH3 Q9Y5N1 5/20 0.44
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 1/20 0.42
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
PRKAA2 P54646 1/20 0.41

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
SCHEMBL2966207 0.95 KCNH2 (0.58) KCNH2GRIN1GRIN2BKDM4EHTT
SCHEMBL2962564 0.90 KCNA5 (0.53) KCNH2GRIN1GRIN2BKCNA5KDM4E
SCHEMBL2970069 0.86 GRIN1 (0.59) KCNH2GRIN1GRIN2BHRH3HRH2
SCHEMBL2969675 0.85 HRH3 (0.50) KCNH2GRIN1GRIN2BKCNA5HRH3
SCHEMBL2967617 0.85 HRH3 (0.50) KCNH2GRIN1GRIN2BKCNA5KDM4E
SCHEMBL2967843 0.84 KCNH2 (0.57) KCNH2GRIN1GRIN2BKDM4EALDH1A1
SCHEMBL2966034 0.84 MAPT (0.48) KCNH2GRIN1GRIN2BKCNA5KDM4E
SCHEMBL5336527 0.84 KCNH2 (0.51) KCNH2KCNA5KDM4EHTTGAA
SCHEMBL5315946 0.84 KCNH2 (0.51) KCNH2KCNA5KDM4EHTTGAA
SCHEMBL5315943 0.82 KCNH2 (0.51) KCNH2KCNA5KDM4EHTTALDH1A1

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 20 patents. 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
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
US-20060074080-A1 Combination product comprising melagatran and an anti-arrhythmic oxabispidenes ASTRAZENECA AB (SE) 2006-04-06 US disclosed
US-20060052314-A1 Pharmaceutical combination ASTRAZENECA AB (SE) 2006-03-09 US disclosed
EP-1559717-A2 Oxabispidine compounds useful in the treatment of cardiac arrythmias AstraZeneca AB (SE) 2005-08-03 EP disclosed
US-20050119259-A1 Synergistic mixture of anticoagulant and antiarrhythmia agents ASTRAZENECA AB (SE) 2005-06-02 US disclosed
EP-1235831-B1 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-03-30 EP 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 (8 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 9/4885GRIN1 857/4885GRIN2B 343/4885
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B KCNH2 11/4885GRIN1 1147/4885GRIN2B 429/4885
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNH2 8/4885GRIN1 1006/4885GRIN2B 480/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNH2 12/4885GRIN1 1057/4885GRIN2B 456/4885
US-20060052314-A1 Pharmaceutical combination F2, TNNT2, WFS1 KCNH2 847/4885GRIN1 3815/4885GRIN2B 3906/4885
US-20050119259-A1 Synergistic mixture of anticoagulant and antiarrhythmia agents KCNH1, VKORC1, VKORC1L1 KCNH2 50/4885GRIN1 3654/4885GRIN2B 3126/4885
US-20060074080-A1 Combination product comprising melagatran and an anti-arrhythmic oxabispidenes O60361, KCNH1, WNT3A KCNH2 47/4885GRIN1 4122/4885GRIN2B 2419/4885
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNH2 8/4885GRIN1 1006/4885GRIN2B 480/4885

“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.