SCHEMBL2967576

SCHEMBL2967576

CC(C)(C)C(=O)CN1CC2CN(CCc3ccc(C#N)cc3)CC(C1)O2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.47
KCNJ1 P48048 5/20 0.47
DRD2 P14416 5/20 0.41
DRD3 P35462 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
USP14 P54578 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35

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
SCHEMBL2966340 0.92 SIGMAR1 (0.40) KCNH2KCNJ1DRD2DRD3HRH3
SCHEMBL5316722 0.87 KCNH2 (0.43) KCNH2DRD2DRD3USP14
SCHEMBL2967821 0.84 KCNH2 (0.48) KCNH2HRH3
SCHEMBL2964375 0.84 KCNH2 (0.54) KCNH2HRH3
SCHEMBL2970004 0.82 KCNH2 (0.40) KCNH2USP14
SCHEMBL5314550 0.82 CD274 (0.53) KCNH2DRD2DRD3
SCHEMBL2966852 0.82 KCNH2 (0.44) KCNH2DRD2DRD3
SCHEMBL5319733 0.81 POLB (0.48) KCNH2KCNJ1DRD2DRD3
SCHEMBL1619080 0.81 KCNH2 (0.43) KCNH2KCNJ1DRD2DRD3L3MBTL1
SCHEMBL6995238 0.80 HTR1A (0.40) KCNH2KCNJ1DRD2DRD3L3MBTL1

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
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
EP-1513807-A1 PHARMACEUTICAL COMBINATION AstraZeneca AB (SE) 2005-03-16 EP disclosed
EP-1503782-A1 A COMBINATION PRODUCT COMPRISING MELAGATRAN AND AN ANTI-ARRHYTHMIC OXABISPIDENES AstraZeneca AB (SE) 2005-02-09 EP disclosed
EP-1503783-A1 A COMBINATION PRODUCT COMPRISING AN ANTI-COAGULANT AND 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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 152/4885DRD2 375/4885
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B KCNH2 11/4885KCNJ1 160/4885DRD2 402/4885
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNH2 8/4885KCNJ1 158/4885DRD2 519/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNH2 12/4885KCNJ1 173/4885DRD2 794/4885
US-20060074080-A1 Combination product comprising melagatran and an anti-arrhythmic oxabispidenes O60361, KCNH1, WNT3A KCNH2 47/4885KCNJ1 33/4885DRD2 1895/4885
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNH2 8/4885KCNJ1 158/4885DRD2 519/4885

“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.