SCHEMBL4516179

SCHEMBL4516179

CS(=O)(=O)N(CCOc1ccc(C#N)cc1)CCN1CC2CN(CCCc3ccc(C#N)cc3)CC(C1)O2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.47
HRH3 Q9Y5N1 14/20 0.41
HRH1 P35367 13/20 0.41
HRH2 P25021 12/20 0.41
CYP19A1 P11511 1/20 0.39
MEN1 O00255 1/20 0.39
HTR1A P08908 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
OPRM1 P35372 1/20 0.38

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
SCHEMBL4522763 0.95 KCNH2 (0.46) KCNH2HRH3HRH1HRH2MEN1
SCHEMBL4515390 0.94 KCNH2 (0.45) KCNH2HRH3HRH1HRH2CYP19A1
SCHEMBL4518587 0.90 KCNH2 (0.45) KCNH2HRH3HRH1HRH2
SCHEMBL4522463 0.90 KCNH2 (0.49) KCNH2HRH3HRH1HRH2HTR1A
SCHEMBL4512377 0.90 KCNH2 (0.43) KCNH2HRH3HRH1HRH2MEN1
SCHEMBL4516621 0.90 KCNH2 (0.50) KCNH2HRH3HRH1HRH2MEN1
SCHEMBL4518352 0.89 KCNH2 (0.44) KCNH2HRH3MEN1OPRM1
SCHEMBL4512049 0.89 KCNH2 (0.48) KCNH2HRH3HRH1HRH2MEN1
SCHEMBL4502666 0.87 KCNH2 (0.42) KCNH2HRH3HRH1HRH2CYP19A1
SCHEMBL4513651 0.87 KCNH2 (0.45) KCNH2HRH3HRH1HRH2MEN1

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-20090099162-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-04-16 US claimed
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-10-09 US claimed
US-7354917-B2 Oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-04-08 US claimed
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-20090099162-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-12-25 US disclosed
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-10-09 US disclosed
US-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2008-06-19 US disclosed
US-7354917-B2 Oxabispidine compounds and their use in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-04-08 US disclosed
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2007-11-08 US disclosed
EP-1765831-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2007-03-28 EP disclosed
WO-2005123747-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-12-29 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 (6 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-20090099162-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885HRH3 452/4885HRH1 561/4885
US-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885HRH3 452/4885HRH1 561/4885
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885HRH3 452/4885HRH1 561/4885
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885HRH3 452/4885HRH1 561/4885
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885HRH3 452/4885HRH1 561/4885
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885HRH3 452/4885HRH1 561/4885

“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.