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SCHEMBL2967590

SCHEMBL2967590

N#Cc1ccc(CCCCN2CC3CN(CCNC(=O)O)CC(C2)O3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.44
▸ HTR1A P08908 4/20 0.42
▸ HTR2A P28223 4/20 0.42
▸ DRD4 P21917 3/20 0.42
▸ HRH1 P35367 3/20 0.42
▸ OPRM1 P35372 3/20 0.42
▸ CCR3 P51677 2/20 0.42
▸ CD274 Q9NZQ7 1/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ DRD2 P14416 6/20 0.39
▸ DRD3 P35462 5/20 0.39
▸ HTR7 P34969 3/20 0.39
▸ HTR6 P50406 3/20 0.39
▸ CACNA1F O60840 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ DRD1 P21728 2/20 0.39
▸ DRD5 P21918 2/20 0.39
▸ HRH2 P25021 2/20 0.39
▸ ADRA1D P25100 2/20 0.39
▸ ADRA1A P35348 2/20 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
SCHEMBL4125747 0.92 KCNH2 (0.48) KCNH2CD274DRD2DRD3KCNJ1
SCHEMBL4669235 0.89 KCNH2 (0.44) KCNH2HTR1AHTR2ADRD4HRH1
SCHEMBL1619458 0.88 FAAH (0.46) KCNH2CD274DRD2DRD3
SCHEMBL5315964 0.86 CD274 (0.54) KCNH2CCR3CD274NAMPTDRD2
SCHEMBL5116804 0.85 KCNH2 (0.42) KCNH2HTR1AHTR2ADRD4HRH1
SCHEMBL2962586 0.85 HTR1A (0.47) KCNH2HTR1AHTR2ADRD4HRH1
SCHEMBL4668152 0.85 KCNH2 (0.44) KCNH2HTR1AHTR2ADRD4HRH1
SCHEMBL4668187 0.85 KCNH2 (0.44) KCNH2HRH1CCR3CD274DRD2
SCHEMBL3423966 0.85 SIGMAR1 (0.45) KCNH2HTR1AHTR2ADRD4HRH1
SCHEMBL2966847 0.85 KCNH2 (0.46) KCNH2HTR2ACCR3CD274DRD2

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 — — US claimed
US-7217708-B2 Cardiovascular disorders ASTRAZENECA AB (SE) 2007-05-15 — — US claimed
EP-1389212-B1 3,7-DIAZABICYCLO 3.3.1| FORMULATIONS AS ANTI-ARRYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2006-07-12 — — EP claimed
EP-1389213-B1 3,7-DIAZABICYCLO 3.3.1| FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2006-04-12 — — EP claimed
EP-1235831-B1 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2005-03-30 — — EP claimed
US-7772229-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2010-08-10 — — US disclosed
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB, (SE) 2009-12-31 — — US disclosed
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias ASTRAZENECA AB (SE) 2009-02-26 — — US disclosed
US-7351821-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2008-04-01 — — US disclosed
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB, SODERTALJE, SWEDEN 2007-05-24 — — US disclosed
US-7164017-B2 Oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB (SE) 2007-01-16 — — US disclosed
CN-1279916-C 3,7-diazybicyclo [3.3.1] for mulations as antiarrhytmic compounds ASTRAZENECA AB (SE) 2006-10-18 — — CN disclosed
CN-1514839-A 3, 7-diazabicyclo [3.3.1] formulations as antiarrhythmic compounds — 2004-07-21 — — CN disclosed
EP-1389213-A1 3,7-DIAZABICYCLO 3.3.1] FORMULATIONS AS ANTIARHYTHMIC COMPOUNDS AstraZeneca AB (SE) 2004-02-18 — — EP disclosed
EP-1389211-A1 3,7-DIAZYBICYCLO 3.3.1] FORMULATIONS AS ANTIARRHYTMIC COMPOUNDS AstraZeneca AB (SE) 2004-02-18 — — EP disclosed
EP-1389212-A1 3,7-DIAZABICYCLO 3.3.1] FORMULATIONS AS ANTI-ARRYTHMIC COMPOUNDS AstraZeneca AB (SE) 2004-02-18 — — EP disclosed
US-20030153564-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias ASTRAZENECA AB 2003-08-14 — — US disclosed
US-6559143-B1 Class III electrophysiological activity, drugs which prolong the trans-membrane action potential duration and refractoriness, without affecting cardiac conduction ASTRAZENECA AB (SE) 2003-05-06 — — US disclosed
EP-1235831-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-09-04 — — EP disclosed
WO-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 — — 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 (4 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-20030153564-A1 New oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, RYR1 KCNH2 9/4885HTR1A 2954/4885HTR2A 3927/4885
US-20090326221-A1 New oxabispidine compunds useful in the treatment of cardiac arrhythmias KCNH1, CACNA1E, SCN1B KCNH2 11/4885HTR1A 3488/4885HTR2A 4105/4885
US-20070117799-A1 Oxabispidine compounds useful in the treatment of cardiac arrhythmias KCNH1, RYR1, CACNA1E KCNH2 12/4885HTR1A 3566/4885HTR2A 4286/4885
US-20090054422-A1 New Oxabispidine Compounds For The Treatment Of Cardiac Arrhythmias RYR1, KCNH1, CACNA1E KCNH2 6/4885HTR1A 3433/4885HTR2A 4426/4885

“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.