SCHEMBL2954576

SCHEMBL2954576

COc1ccc(C(=O)CN2CC3CN(CCOc4ccc(C#N)cc4C#N)CC(C2)O3)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GRIN2B Q13224 4/20 0.42
GRIN1 Q05586 3/20 0.42
HRH3 Q9Y5N1 1/20 0.40
DRD3 P35462 3/20 0.39
DRD2 P14416 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KCNH2 Q12809 2/20 0.39
MCHR1 Q99705 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL6096176 0.92 GRIN2B (0.48) KCNA5NPC1RAB9AGRIN2BGRIN1
SCHEMBL2962564 0.89 KCNA5 (0.53) KCNA5GRIN2BGRIN1HRH3DRD3
SCHEMBL5965977 0.86 NPC1 (0.43) KCNA5NPC1RAB9AGRIN2BGRIN1
SCHEMBL2967617 0.84 HRH3 (0.50) KCNA5GRIN2BGRIN1HRH3DRD2
SCHEMBL2967832 0.83 KDM4E (0.39) KCNA5ALDH1A1KCNH2KDM4EMEN1
SCHEMBL4418109 0.80 KDM4E (0.41) KCNA5ALDH1A1KCNH2KDM4EMEN1
SCHEMBL2966786 0.80 KCNH2 (0.52) KCNA5GRIN2BGRIN1HRH3MAPT
SCHEMBL2956486 0.79 KCNH2 (0.43) HRH3ALDH1A1KCNH2KDM4E
SCHEMBL4133154 0.78 KCNH2 (0.43) KCNA5DRD3DRD2ALDH1A1KCNH2
SCHEMBL4514602 0.78 GRIN2B (0.42) KCNA5GRIN2BGRIN1HRH3MAPT

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 26 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
EP-1503782-A1 A COMBINATION PRODUCT COMPRISING MELAGATRAN AND AN ANTI-ARRHYTHMIC OXABISPIDENES AstraZeneca AB (SE) 2005-02-09 EP disclosed
WO-2003101956-A1 PHARMACEUTICAL COMBINATION ASTRAZENECA AB (SE) 2003-12-11 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 KCNA5 79/4885NPC1 3724/4885RAB9A 734/4885
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B KCNA5 90/4885NPC1 3815/4885RAB9A 2162/4885
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNA5 54/4885NPC1 4009/4885RAB9A 1228/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNA5 80/4885NPC1 4007/4885RAB9A 1471/4885
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNA5 54/4885NPC1 4009/4885RAB9A 1228/4885

“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.