SCHEMBL4133581

SCHEMBL4133581

N#Cc1ccc(OCCN(CCN2CC3CN(CCNC(=O)O)CC(C2)O3)C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
MMP2 P08253 3/20 0.43
HRH2 P25021 8/20 0.38
HRH1 P35367 8/20 0.38
HRH3 Q9Y5N1 5/20 0.38
KCNA5 P22460 3/20 0.38
MMP3 P08254 2/20 0.36
SCN9A Q15858 2/20 0.36
MEN1 O00255 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
SCHEMBL4504040 0.87 HRH3 (0.47) KCNH2MMP2HRH2HRH1HRH3
SCHEMBL4134193 0.86 KCNH2 (0.53) KCNH2MMP2HRH2HRH1HRH3
SCHEMBL4508438 0.86 MMP2 (0.45) KCNH2MMP2HRH2HRH1HRH3
SCHEMBL4137801 0.85 KCNH2 (0.59) KCNH2HRH2HRH1HRH3MEN1
SCHEMBL4508382 0.85 MMP2 (0.43) KCNH2MMP2HRH1HRH3KCNA5
SCHEMBL4513184 0.85 MMP2 (0.43) KCNH2MMP2HRH1KCNA5MEN1
SCHEMBL4669159 0.85 KCNH2 (0.49) KCNH2MMP2HRH2HRH1HRH3
SCHEMBL4512515 0.84 MMP2 (0.41) KCNH2MMP2HRH2HRH1HRH3
SCHEMBL5013138 0.84 MMP2 (0.41) KCNH2MMP2HRH2HRH1HRH3
SCHEMBL4506203 0.84 KCNA5 (0.43) KCNH2MMP2KCNA5

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 16 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-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 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-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 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 14/4885MMP2 4639/4885HRH2 583/4885
US-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885MMP2 4639/4885HRH2 583/4885
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885MMP2 4639/4885HRH2 583/4885
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885MMP2 4639/4885HRH2 583/4885
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 6/4885MMP2 4536/4885HRH2 521/4885
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885MMP2 4639/4885HRH2 583/4885

“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.