SCHEMBL2964313

SCHEMBL2964313

N#Cc1ccc(OCCN2CC3CNCC(C2)O3)c(C#N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.43
HRH2 P25021 4/20 0.43
HRH1 P35367 4/20 0.43
KCNH2 Q12809 2/20 0.37
KDM1A O60341 2/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
SSTR4 P31391 1/20 0.35
TBK1 Q9UHD2 1/20 0.34
SLC6A4 P31645 3/20 0.33
SLC6A2 P23975 2/20 0.33
DRD4 P21917 1/20 0.33
HTR2C P28335 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 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
SCHEMBL15163479 0.88 HRH3 (0.44) HRH3HRH2HRH1KCNH2KDM1A
SCHEMBL6094143 0.87 HRH3 (0.57) HRH3HRH2HRH1KDM1ASSTR4
Hydrochloric Acid SCHEMBL3122612 0.87 HRH3 (0.43) HRH3HRH2HRH1KCNH2KDM1A
Hydrochloric Acid SCHEMBL1618281 0.87 HRH3 (0.43) HRH3HRH2HRH1KCNH2KDM1A
SCHEMBL2963282 0.84 KCNH2 (0.37) HRH3HRH2HRH1KCNH2KDM4E
SCHEMBL1619310 0.83 HRH3 (0.60) HRH3HRH2HRH1KCNH2
SCHEMBL4418109 0.83 KDM4E (0.41) KCNH2KDM4EALDH1A1
SCHEMBL4133154 0.82 KCNH2 (0.43) KCNH2KDM4EALDH1A1SSTR4
SCHEMBL1619397 0.82 HRH3 (0.50) HRH3HRH2HRH1KCNH2KDM1A
SCHEMBL2956486 0.81 KCNH2 (0.43) HRH3HRH2HRH1KCNH2KDM4E

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 936/4885HRH2 680/4885HRH1 765/4885
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B HRH3 817/4885HRH2 1257/4885HRH1 970/4885
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E HRH3 385/4885HRH2 505/4885HRH1 526/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E HRH3 420/4885HRH2 556/4885HRH1 591/4885
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E HRH3 385/4885HRH2 505/4885HRH1 526/4885

“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.