SCHEMBL2968077

SCHEMBL2968077

COc1ccc(OC(CCCN2CC3CNCC(C2)O3)c2ccc(C#N)cc2)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.42
SLC6A4 P31645 4/20 0.42
HRH2 P25021 3/20 0.42
HRH1 P35367 3/20 0.42
SLC6A2 P23975 1/20 0.37
KCNH2 Q12809 2/20 0.37
DRD3 P35462 1/20 0.35
MCHR1 Q99705 1/20 0.34
HTR1A P08908 2/20 0.34
AR P10275 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.33

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
SCHEMBL6094523 0.90 HRH3 (0.53) HRH3SLC6A4HRH2HRH1SLC6A2
SCHEMBL6738560 0.88 HRH3 (0.42) HRH3SLC6A4HRH2HRH1SLC6A2
SCHEMBL2964346 0.88 MCHR1 (0.43) HRH3SLC6A4KCNH2MCHR1HTR1A
SCHEMBL2966856 0.87 SLC6A4 (0.40) HRH3SLC6A4HRH2HRH1SLC6A2
SCHEMBL2964357 0.87 POLB (0.39) HRH3SLC6A4HRH2HRH1KCNH2
SCHEMBL5965675 0.85 HRH3 (0.44) HRH3SLC6A4HRH2HRH1DRD3
SCHEMBL2959501 0.85 KCNH2 (0.38) HRH3SLC6A4HRH2HRH1KCNH2
SCHEMBL2966873 0.85 KCNH2 (0.39) HRH3SLC6A4SLC6A2KCNH2DRD3
SCHEMBL6147350 0.84 KCNH2 (0.39) HRH3SLC6A4HRH2HRH1SLC6A2
SCHEMBL5965603 0.84 HRH3 (0.39) HRH3SLC6A4HRH2HRH1SLC6A2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1559717-A2 Oxabispidine compounds useful in the treatment of cardiac arrythmias AstraZeneca AB (SE) 2005-08-03 EP 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 (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 HRH3 936/4885SLC6A4 4144/4885HRH2 680/4885
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B HRH3 817/4885SLC6A4 3677/4885HRH2 1257/4885
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E HRH3 385/4885SLC6A4 3862/4885HRH2 505/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E HRH3 420/4885SLC6A4 3965/4885HRH2 556/4885
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E HRH3 385/4885SLC6A4 3862/4885HRH2 505/4885

“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.