SCHEMBL4511212

SCHEMBL4511212

Cc1cc(CN2CC3CN(CCN(CCOc4ccc(C#N)cc4)S(C)(=O)=O)CC(C2)O3)oc1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
HRH2 P25021 10/20 0.35
HRH1 P35367 10/20 0.35
HRH3 Q9Y5N1 10/20 0.35
KCNA5 P22460 1/20 0.34
SLC6A4 P31645 1/20 0.33
ESR1 P03372 1/20 0.33
MEN1 O00255 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CYP19A1 P11511 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
SCHEMBL4518587 0.86 KCNH2 (0.45) KCNH2HRH2HRH1HRH3MMP2
SCHEMBL4499591 0.85 KCNH2 (0.42) KCNH2HRH2HRH1HRH3KCNA5
SCHEMBL4513527 0.84 KCNH2 (0.43) KCNH2HRH2HRH1HRH3KCNA5
SCHEMBL4511143 0.84 KCNH2 (0.40) KCNH2HRH2HRH1HRH3KCNA5
SCHEMBL4502666 0.83 KCNH2 (0.42) KCNH2HRH2HRH1HRH3MAOA
SCHEMBL4515390 0.83 KCNH2 (0.45) KCNH2HRH2HRH1HRH3MMP2
SCHEMBL4513651 0.83 KCNH2 (0.45) KCNH2HRH2HRH1HRH3KCNA5
SCHEMBL4510305 0.82 KCNH2 (0.42) KCNH2HRH2HRH1HRH3MMP2
SCHEMBL4512830 0.82 KCNH2 (0.49) KCNH2HRH3
SCHEMBL4511527 0.82 KCNH2 (0.42) KCNH2HRH2HRH1HRH3MEN1

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 15 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
EP-1765831-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2007-03-28 EP claimed
WO-2005123747-A1 NOVEL OXABISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-12-29 WO 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 14/4885HRH2 583/4885HRH1 561/4885
US-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885HRH2 583/4885HRH1 561/4885
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885HRH2 583/4885HRH1 561/4885
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885HRH2 583/4885HRH1 561/4885
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885HRH2 583/4885HRH1 561/4885
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885HRH2 583/4885HRH1 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.