SCHEMBL4516248

SCHEMBL4516248

CN(C)C(=O)N(CCOc1ccc(C#N)cc1)CCN1CC2CN(CCCc3ccccc3)CC(C1)O2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 3/20 0.45
HTR2A P28223 2/20 0.45
OPRM1 P35372 2/20 0.45
HTR1A P08908 1/20 0.45
DRD4 P21917 1/20 0.45
KCNH2 Q12809 2/20 0.42
MEN1 O00255 11/20 0.42
HRH2 P25021 2/20 0.40
HRH3 Q9Y5N1 2/20 0.40
KCNA5 P22460 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
HTR7 P34969 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
SCHEMBL4512066 0.96 KCNH2 (0.41) HRH1HTR2AOPRM1HTR1ADRD4
SCHEMBL4508044 0.92 KCNH2 (0.41) KCNH2MEN1HRH3KCNA5
SCHEMBL4516175 0.91 KCNH2 (0.42) HRH1KCNH2HRH2HRH3
SCHEMBL5535795 0.90 HRH1 (0.46) HRH1HTR2AOPRM1HTR1ADRD4
SCHEMBL4505017 0.88 KCNH2 (0.42) HRH1KCNH2HRH2HRH3KCNA5
SCHEMBL4524067 0.86 KCNH2 (0.45) HRH1KCNH2MEN1HRH2HRH3
SCHEMBL4513184 0.85 MMP2 (0.43) HRH1HTR2AOPRM1HTR1ADRD4
SCHEMBL4520264 0.85 HRH2 (0.46) HRH1KCNH2HRH2HRH3KCNA5
SCHEMBL4522763 0.84 KCNH2 (0.46) HRH1HTR2AOPRM1HTR1ADRD4
SCHEMBL4510385 0.84 KCNH2 (0.46) DRD4KCNH2

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
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

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 HRH1 561/4885HTR2A 3950/4885OPRM1 1907/4885
US-20080207899-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E HRH1 561/4885HTR2A 3950/4885OPRM1 1907/4885
US-20070259864-A1 Novel Oxabispidine Compounds and Their Use in the Treatment of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E HRH1 561/4885HTR2A 3950/4885OPRM1 1907/4885
US-20080146812-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E HRH1 561/4885HTR2A 3950/4885OPRM1 1907/4885
US-20080319198-A2 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E HRH1 561/4885HTR2A 3950/4885OPRM1 1907/4885
US-20080249086-A1 Novel Oxabispidine Compounds And Their Use In The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E HRH1 561/4885HTR2A 3950/4885OPRM1 1907/4885

“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.