Vernakalant

Vernakalant

SCHEMBL1762326

COc1ccc(CCO[C@H]2CCCC[C@@H]2N2CCC(O)C2)cc1OC.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

KCNA5KCND3KCNH2KCNJ3KCNJ5SCN5A

The experimentally established mechanism targets of Vernakalant. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNA5 known ✓ P22460 6/20 1.00
SCN5A known ✓ Q14524 6/20 1.00
KCNH2 known ✓ Q12809 1/20 1.00
KCND2 Q9NZV8 5/20 1.00
SLC6A4 P31645 1/20 0.98
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.42
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
EPHX1 P07099 1/20 0.40

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
Vernakalant SCHEMBL1762185 1.00 KCNA5 (1.00) KCNA5SCN5AKCND2KCNH2SLC6A4
Vernakalant SCHEMBL439144 1.00 KCNA5 (1.00) KCNA5SCN5AKCND2KCNH2SLC6A4
Vernakalant SCHEMBL441544 1.00 KCNA5 (1.00) KCNA5SCN5AKCND2KCNH2SLC6A4
Vernakalant SCHEMBL6276115 1.00 KCNA5 (1.00) KCNA5SCN5AKCND2KCNH2SLC6A4
Vernakalant SCHEMBL4615829 1.00 KCNA5 (1.00) KCNA5SCN5AKCND2KCNH2SLC6A4
Vernakalant SCHEMBL3338844 1.00 KCNA5 (1.00) KCNA5SCN5AKCND2KCNH2SLC6A4
Vernakalant SCHEMBL439679 1.00 KCNA5 (1.00) KCNA5SCN5AKCND2KCNH2SLC6A4
Vernakalant SCHEMBL439706 1.00 KCNA5 (1.00) KCNA5SCN5AKCND2KCNH2SLC6A4
Vernakalant SCHEMBL443797 1.00 KCNA5 (1.00) KCNA5SCN5AKCND2KCNH2SLC6A4
Vernakalant SCHEMBL442387 1.00 KCNA5 (1.00) KCNA5SCN5AKCND2KCNH2SLC6A4

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
EP-1868598-B1 A NEW DOSING REGIMEN FOR ION CHANNEL MODULATING COMPOUNDS FOR TREATING ACUTE ATRIAL FIBRILLATION IN A HUMAN CARDIOME PHARMA CORP (CA) 2014-04-23 EP disclosed
US-8263638-B2 e.g. 2-(hydroxypyrrolidinyl]-1-(3,4-dimethoxyphenethoxy)cyclohexane; sodium channel blocking agent; arrythmias (e.g. atrial fibrillation, atrial flutter, early after depolarizations and prolongation of QT interval) CARDIOME PHARMA CORP. (CA) 2012-09-11 US disclosed
US-8188140-B2 Uses of ion channel modulating compounds CARDIOME PHARMA CORP. 2012-05-29 US disclosed
US-20120095073-A1 ION CHANNEL MODULATING ACTIVITY II CARDIOME PHARMA CORP. (CA) 2012-04-19 US disclosed
US-20110118329-A1 USES OF ION CHANNEL MODULATING COMPOUNDS CARDIOME PHARMA CORP. (CA) 2011-05-19 US disclosed
US-7820712-B2 Uses of ion channel modulating compounds CARDIOME PHARMA CORP. (CA) 2010-10-26 US disclosed
US-7674820-B2 Ion channel modulating activity I CARDIOME PHARMA CORP. (CA) 2010-03-09 US disclosed
US-20090270478-A1 ION CHANNEL MODULATING ACTIVITY II CARDIOME PHARMA CORP. (CA) 2009-10-29 US disclosed
US-20090041841-A1 CONTROLLED RELEASE TABLET FORMULATIONS FOR THE PREVENTION OF ARRHYTHMIAS CARDIOME PHARMA CORP. (CA) 2009-02-12 US disclosed
US-20080188547-A1 USES OF ION CHANNEL MODULATING COMPOUNDS CARDIOME PHARMA CORP. (CA) 2008-08-07 US disclosed
US-20080171785-A1 Dosing Regimens For Ion Channel Modulating Compounds CARDIOME PHARMA CORP. (CA) 2008-07-17 US disclosed
US-7345086-B2 Uses of ion channel modulating compounds CARDIOME PHARMA CORP. (CA) 2008-03-18 US disclosed
US-20060135536-A9 Ion channel modulating activity I CARDIOME PHARMA CORP. (CA) 2006-06-22 US disclosed
WO-2005097869-A1 POLYMERS COMPRISING ION CHANNEL MODULATING COMPOUNDS AND USES THEREOF CARDIOME PHARMA CORP. (CA) 2005-10-20 WO disclosed
US-20050070552-A1 Ion channel modulating activity I CARDIOME PHARMA CORP. (CA) 2005-03-31 US disclosed
US-20050026993-A1 Uses of ion channel modulating compounds CORREVIO CANADA CORP. (CA) 2005-02-03 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 (9 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-20090041841-A1 CONTROLLED RELEASE TABLET FORMULATIONS FOR THE PREVENTION OF ARRHYTHMIAS KCNN3, KCNN2, KCNN1 KCNA5 78/4885SCN5A 59/4885KCNH2 17/4885
US-20050070552-A1 Ion channel modulating activity I KCNN1, KCNN3, KCNH1 KCNA5 45/4885SCN5A 71/4885KCNH2 13/4885
US-20080171785-A1 Dosing Regimens For Ion Channel Modulating Compounds KCNN3, KCNN2, KCNN1 KCNA5 59/4885SCN5A 39/4885KCNH2 21/4885
US-20050026993-A1 Uses of ion channel modulating compounds KCNN1, KCNN2, KCNN3 KCNA5 48/4885SCN5A 49/4885KCNH2 16/4885
US-20060135536-A9 Ion channel modulating activity I KCNN1, KCNN3, KCNH1 KCNA5 45/4885SCN5A 71/4885KCNH2 13/4885
US-20090270478-A1 ION CHANNEL MODULATING ACTIVITY II KCNH1, KCNN3, KCNN2 KCNA5 31/4885SCN5A 59/4885KCNH2 11/4885
US-20110118329-A1 USES OF ION CHANNEL MODULATING COMPOUNDS KCNN1, KCNN2, KCNN3 KCNA5 48/4885SCN5A 49/4885KCNH2 16/4885
US-20080188547-A1 USES OF ION CHANNEL MODULATING COMPOUNDS KCNN1, KCNN2, KCNN3 KCNA5 48/4885SCN5A 49/4885KCNH2 16/4885
US-20120095073-A1 ION CHANNEL MODULATING ACTIVITY II KCNH1, KCNN3, KCNJ2 KCNA5 34/4885SCN5A 64/4885KCNH2 11/4885

“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.