SCHEMBL2963249

SCHEMBL2963249

N#Cc1ccc(OCCN2CC3CN(Cc4cn5ccccc5n4)CC(C2)O3)c(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.47
SIGMAR1 Q99720 6/20 0.42
HTR1A P08908 4/20 0.38
DRD2 P14416 4/20 0.38
ADRA1D P25100 4/20 0.38
ADRA1A P35348 4/20 0.38
ADRA1B P35368 4/20 0.38
DRD3 P35462 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HRH3 Q9Y5N1 1/20 0.36
ADCY10 Q96PN6 1/20 0.36
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL2964237 0.88 DRD4 (0.53) DRD4SIGMAR1HTR1ADRD2ADRA1D
SCHEMBL2967588 0.83 DRD4 (0.52) DRD4SIGMAR1DRD2DRD3KDM4E
SCHEMBL2963282 0.80 KCNH2 (0.37) DRD4KDM4EHRH3ADCY10HSD17B10
SCHEMBL2962901 0.78 DRD4 (0.46) DRD4SIGMAR1HTR1ADRD2ADRA1D
SCHEMBL2960093 0.77 DRD4 (0.44) DRD4SIGMAR1HTR1ADRD2ADRA1D
SCHEMBL2964313 0.75 HRH3 (0.43) DRD4KDM4EHRH3
SCHEMBL4418109 0.73 KDM4E (0.41) KDM4E
SCHEMBL2956486 0.72 KCNH2 (0.43) KDM4EHRH3
SCHEMBL2959485 0.71 JAK2 (0.42) KDM4EADCY10HSD17B10
SCHEMBL5336075 0.71 KDM4E (0.43) DRD4KDM4ETSHRHSD17B10SMN1; SMN2

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 30 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
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
EP-0963987-B1 Spiro(piperidine-4,1'-pyrrolo(3,4-c)pyrrole) HOFFMANN LA ROCHE (CH) 2002-08-28 EP disclosed
WO-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 WO disclosed
US-6075034-A Spiro[piperidine-4,1'-pyrrolo [3,4-C] pyrrole]derivatives HOFFMANN-LA ROCHE INC. (US) 2000-06-13 US disclosed
EP-0963987-A2 Spiro(piperidine-4,1'-pyrrolo(3,4-c)pyrrole) F. HOFFMANN-LA ROCHE AG (CH) 1999-12-15 EP 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 DRD4 493/4885SIGMAR1 1800/4885HTR1A 2954/4885
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B DRD4 542/4885SIGMAR1 792/4885HTR1A 3488/4885
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E DRD4 758/4885SIGMAR1 1607/4885HTR1A 3302/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E DRD4 994/4885SIGMAR1 1976/4885HTR1A 3566/4885
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E DRD4 758/4885SIGMAR1 1607/4885HTR1A 3302/4885

“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.