Vernakalant

Vernakalant

SCHEMBL13204358

COc1cc(CCOC2CCCCC2N2CC[C@@H](O)C2)ccc1O[13CH3]

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 18)

geneUniProtsupporting neighboursconfidence
KCNA5 known ✓ P22460 6/20 0.98
SCN5A known ✓ Q14524 6/20 0.98
KCNH2 known ✓ Q12809 1/20 0.98
SLC6A4 P31645 1/20 1.00
KCND2 Q9NZV8 5/20 0.98
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 4/20 0.43
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 3/20 0.40
EPHX1 P07099 1/20 0.40
KDM4E B2RXH2 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 SCHEMBL409715 1.00 SLC6A4 (1.00) SLC6A4KCNA5SCN5AKCND2KCNH2
Vernakalant SCHEMBL411264 1.00 SLC6A4 (1.00) SLC6A4KCNA5SCN5AKCND2KCNH2
Vernakalant SCHEMBL670358 1.00 SLC6A4 (1.00) SLC6A4KCNA5SCN5AKCND2KCNH2
Vernakalant SCHEMBL4602010 1.00 SLC6A4 (1.00) SLC6A4KCNA5SCN5AKCND2KCNH2
Vernakalant SCHEMBL12375883 1.00 SLC6A4 (1.00) SLC6A4KCNA5SCN5AKCND2KCNH2
Vernakalant SCHEMBL410062 1.00 SLC6A4 (1.00) SLC6A4KCNA5SCN5AKCND2KCNH2
Vernakalant SCHEMBL10266911 1.00 SLC6A4 (1.00) SLC6A4KCNA5SCN5AKCND2KCNH2
Vernakalant SCHEMBL9921603 1.00 SLC6A4 (1.00) SLC6A4KCNA5SCN5AKCND2KCNH2
Vernakalant SCHEMBL12296079 1.00 SLC6A4 (1.00) SLC6A4KCNA5SCN5AKCND2KCNH2
Vernakalant SCHEMBL13097993 1.00 SLC6A4 (1.00) SLC6A4KCNA5SCN5AKCND2KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786119-B2 Drug conjugates of ion channel modulating compounds CARDIOME PHARMA CORP. (CA) 2010-08-31 US disclosed
US-20080021005-A1 Pegylated Ion Channel Modulating Compounds CARDIOME PHARMA CORP. (CA) 2008-01-24 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 (1 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-20080021005-A1 Pegylated Ion Channel Modulating Compounds KCNN3, KCNN2, KCNN1 KCNA5 30/4885SCN5A 56/4885KCNH2 7/4885

“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.