SCHEMBL2960093

SCHEMBL2960093

N#Cc1ccc(NCCCN2CC3CN(Cc4cn5ccccc5n4)CC(C2)O3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.44
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SIGMAR1 Q99720 5/20 0.41
KDM4E B2RXH2 2/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
HTR1A P08908 2/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
MEN1 O00255 2/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 1/20 0.37
KCNH2 Q12809 1/20 0.37
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL2962901 0.85 DRD4 (0.46) DRD4SMN1; SMN2SIGMAR1KDM4EDRD2
SCHEMBL2967588 0.85 DRD4 (0.52) DRD4NPC1RAB9ASMN1; SMN2SIGMAR1
SCHEMBL2964237 0.83 DRD4 (0.53) DRD4NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2967483 0.80 KCNH2 (0.48) SIGMAR1MEN1KCNH2KMT2A
SCHEMBL2968107 0.80 MEN1 (0.43) DRD2DRD3MEN1KCNH2KMT2A
SCHEMBL2961493 0.79 KCNH2 (0.43) ALDH1A1SIGMAR1KDM4EMEN1HSD17B10
SCHEMBL2967662 0.78 CHRM1 (0.45) DRD2DRD3MEN1KCNH2KMT2A
SCHEMBL2963249 0.77 DRD4 (0.47) DRD4SMN1; SMN2SIGMAR1KDM4EDRD2
SCHEMBL5336075 0.77 KDM4E (0.43) DRD4ALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL2966823 0.75 CCR3 (0.48) DRD4DRD2DRD3HTR1AADRA1D

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 22 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
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
EP-1503783-A1 A COMBINATION PRODUCT COMPRISING AN ANTI-COAGULANT AND ANTI-ARRHYTHMIC OXABISPIDENES AstraZeneca AB (SE) 2005-02-09 EP disclosed
WO-2003092720-A1 A COMBINATION PRODUCT COMPRISING AN ANTI-COAGULANT AND 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 (7 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 DRD4 493/4885NPC1 3724/4885ALDH1A1 321/4885
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B DRD4 542/4885NPC1 3815/4885ALDH1A1 557/4885
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E DRD4 758/4885NPC1 4009/4885ALDH1A1 539/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E DRD4 994/4885NPC1 4007/4885ALDH1A1 534/4885
US-20050119259-A1 Synergistic mixture of anticoagulant and antiarrhythmia agents KCNH1, VKORC1, VKORC1L1 DRD4 2598/4885NPC1 3668/4885ALDH1A1 865/4885
US-20060074080-A1 Combination product comprising melagatran and an anti-arrhythmic oxabispidenes O60361, KCNH1, WNT3A DRD4 3492/4885NPC1 4583/4885ALDH1A1 310/4885
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E DRD4 758/4885NPC1 4009/4885ALDH1A1 539/4885

“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.