SCHEMBL4522463

SCHEMBL4522463

CS(=O)(=O)N(CCOc1ccc(C#N)cc1)CCN1CC2CN(CCc3ccc(F)cc3)CC(C1)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.49
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
KCNJ1 P48048 1/20 0.37
HRH2 P25021 8/20 0.36
HRH1 P35367 8/20 0.36
DRD2 P14416 3/20 0.36
DRD3 P35462 3/20 0.36
HTR2A P28223 3/20 0.36
CACNA1F O60840 2/20 0.36
HTR1A P08908 2/20 0.36
ADORA3 P0DMS8 2/20 0.36
DRD1 P21728 2/20 0.36
DRD4 P21917 2/20 0.36
DRD5 P21918 2/20 0.36
ADRA1D P25100 2/20 0.36
HTR7 P34969 2/20 0.36
ADRA1A P35348 2/20 0.36
ADRA1B P35368 2/20 0.36
OPRM1 P35372 2/20 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
SCHEMBL4515390 0.95 KCNH2 (0.45) KCNH2KCNJ1HRH2HRH1DRD2
SCHEMBL4512830 0.93 KCNH2 (0.49) KCNH2KDM4EHTTDRD2DRD3
SCHEMBL4512377 0.91 KCNH2 (0.43) KCNH2KCNJ1HRH2HRH1DRD2
SCHEMBL4516179 0.90 KCNH2 (0.47) KCNH2HRH2HRH1HTR2AHTR1A
SCHEMBL4518587 0.88 KCNH2 (0.45) KCNH2HRH2HRH1HRH3
SCHEMBL4522763 0.86 KCNH2 (0.46) KCNH2HRH2HRH1DRD2DRD3
SCHEMBL4502666 0.85 KCNH2 (0.42) KCNH2HRH2HRH1DRD4HRH3
SCHEMBL4507858 0.84 KCNH2 (0.55) KCNH2KDM4EHTTHRH2HRH1
SCHEMBL4513651 0.84 KCNH2 (0.45) KCNH2HRH2HRH1HRH3
SCHEMBL4511527 0.84 KCNH2 (0.42) KCNH2HRH2HRH1HRH3PRKAA2

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 14/4885KDM4E 3797/4885HTT 3719/4885
US-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885KDM4E 3797/4885HTT 3719/4885
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885KDM4E 3797/4885HTT 3719/4885
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885KDM4E 3797/4885HTT 3719/4885
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885KDM4E 3797/4885HTT 3719/4885
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 14/4885KDM4E 3797/4885HTT 3719/4885

“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.