Vernakalant

Vernakalant

SCHEMBL439706

COc1ccc(CCO[C@@H]2CCCC[C@@H]2N2CC[C@@H](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 SCHEMBL443797 1.00 KCNA5 (1.00) KCNA5SCN5AKCND2KCNH2SLC6A4
Vernakalant SCHEMBL442387 1.00 KCNA5 (1.00) KCNA5SCN5AKCND2KCNH2SLC6A4
Vernakalant SCHEMBL441030 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9586899-B2 Synthetic process for aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2017-03-07 US disclosed
US-20150336887-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CORREVIO CANADA CORP. (CA) 2015-11-26 US disclosed
US-9115081-B2 Synthetic process for aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2015-08-25 US disclosed
US-8618311-B2 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2013-12-31 US disclosed
EP-1915340-B1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP (CA) 2013-08-07 EP disclosed
US-20130102791-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2013-04-25 US disclosed
US-20130090483-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2013-04-11 US disclosed
US-8344162-B2 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2013-01-01 US disclosed
US-20120271057-A9 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2012-10-25 US disclosed
US-20120065408-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2012-03-15 US disclosed
US-8080673-B2 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2011-12-20 US disclosed
US-20100217014-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2010-08-26 US disclosed
US-20100152464-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2010-06-17 US disclosed
EP-1915340-A2 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS Cardiome Pharma Corp. (CA) 2008-04-30 EP disclosed
WO-2006138673-A2 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2006-12-28 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 (7 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-20120065408-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 KCNA5 56/4885SCN5A 39/4885KCNH2 68/4885
US-20130102791-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS DDC, PAICS, CYP4F2 KCNA5 3600/4885SCN5A 3852/4885KCNH2 1977/4885
US-20150336887-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS DDC, PAICS, CYP4F2 KCNA5 3600/4885SCN5A 3852/4885KCNH2 1977/4885
US-20130090483-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 KCNA5 56/4885SCN5A 39/4885KCNH2 68/4885
US-20100217014-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 KCNA5 56/4885SCN5A 39/4885KCNH2 68/4885
US-20100152464-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS DDC, PAICS, CYP4F2 KCNA5 3600/4885SCN5A 3852/4885KCNH2 1977/4885
US-20120271057-A9 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 KCNA5 56/4885SCN5A 39/4885KCNH2 68/4885

“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.