SCHEMBL2961476

SCHEMBL2961476

N#Cc1ccc(CCCCN2CC3CNCC(C2)O3)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.47
HRH1 P35367 4/20 0.47
HRH2 P25021 3/20 0.47
KCNH2 Q12809 4/20 0.46
KCNJ1 P48048 3/20 0.46
GRM2 Q14416 1/20 0.42
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM1A O60341 2/20 0.39
SIGMAR1 Q99720 2/20 0.38
HTR1A P08908 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
OPRM1 P35372 1/20 0.38
NAAA Q02083 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 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
SCHEMBL3120195 0.82 USP2 (0.49) HRH3HRH1HRH2KCNH2KCNJ1
SCHEMBL1619064 0.82 HRH3 (0.70) HRH3HRH1HRH2KCNH2
SCHEMBL2969469 0.81 KCNH2 (0.43) HRH3HRH1HRH2KCNH2KCNJ1
SCHEMBL2961531 0.81 HRH2 (0.45) HRH3HRH1HRH2KCNH2KDM1A
SCHEMBL4505273 0.81 HRH1 (0.37) HRH3HRH1HRH2KCNH2KCNJ1
Hydrochloric Acid SCHEMBL1619344 0.81 USP2 (0.48) HRH3HRH1HRH2KCNH2KCNJ1
Hydrochloric Acid SCHEMBL1619076 0.81 HRH3 (0.68) HRH3HRH1HRH2KCNH2
Hydrochloric Acid SCHEMBL4521680 0.81 KCNH2 (0.36) HRH3HRH1HRH2KCNH2KCNJ1
SCHEMBL2962586 0.81 HTR1A (0.47) HRH3HRH1HRH2KCNH2KCNJ1
SCHEMBL2967590 0.80 KCNH2 (0.44) HRH1HRH2KCNH2KCNJ1GRM2

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
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-7217708-B2 Cardiovascular disorders ASTRAZENECA AB (SE) 2007-05-15 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-1389212-B1 3,7-DIAZABICYCLO 3.3.1| FORMULATIONS AS ANTI-ARRYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2006-07-12 EP disclosed
EP-1389213-B1 3,7-DIAZABICYCLO 3.3.1| FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2006-04-12 EP disclosed
US-20040143000-A1 3,7-diazabicyclo [3.3.1] formulations as antiarhythmic compounds ASTRAZENECA AB (SE) 2004-07-22 US disclosed
US-20040132798-A1 3.7-Diazybicyclo [3.3.1] formulations as antiarrhythmic compounds ASTRAZENECA AB (SE) 2004-07-08 US disclosed
EP-1389211-A1 3,7-DIAZYBICYCLO 3.3.1] FORMULATIONS AS ANTIARRHYTMIC COMPOUNDS AstraZeneca AB (SE) 2004-02-18 EP disclosed
EP-1389212-A1 3,7-DIAZABICYCLO 3.3.1] FORMULATIONS AS ANTI-ARRYTHMIC COMPOUNDS AstraZeneca AB (SE) 2004-02-18 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
WO-2002083687-A1 3,7-DIAZYBICYCLO [3.3.1] FORMULATIONS AS ANTIARRHYTMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 WO disclosed
WO-2002083689-A1 3,7-DIAZABICYCLO [3.3.1] FORMULATIONS AS ANTI-ARRYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2002-10-24 WO 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 HRH3 936/4885HRH1 765/4885HRH2 680/4885
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B HRH3 817/4885HRH1 970/4885HRH2 1257/4885
US-20060166979-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E HRH3 385/4885HRH1 526/4885HRH2 505/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E HRH3 420/4885HRH1 591/4885HRH2 556/4885
US-20040132798-A1 3.7-Diazybicyclo [3.3.1] formulations as antiarrhythmic compounds HCN3, CACNB3, TNNI3 HRH3 3165/4885HRH1 3815/4885HRH2 3157/4885
US-20040143000-A1 3,7-diazabicyclo [3.3.1] formulations as antiarhythmic compounds SCN3A, KCNH1, CACNA1G HRH3 2620/4885HRH1 3026/4885HRH2 3252/4885
US-20060166980-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E HRH3 385/4885HRH1 526/4885HRH2 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.