SCHEMBL411086

SCHEMBL411086

CCOc1cc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](O)C2)ccc1OC

nearest known ligand 0.86

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.86
KCNA5 P22460 6/20 0.85
SCN5A Q14524 6/20 0.85
KCND2 Q9NZV8 5/20 0.85
KCNH2 Q12809 1/20 0.85
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
ATM Q13315 1/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38

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
Hydrochloric Acid SCHEMBL442035 0.99 KCNA5 (0.87) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL410079 0.96 SLC6A4 (0.86) SLC6A4KCNA5SCN5AKCND2KCNH2
Hydrochloric Acid SCHEMBL444357 0.95 KCNA5 (0.87) SLC6A4KCNA5SCN5AKCND2KCNH2
Vernakalant SCHEMBL411259 0.93 SLC6A4 (1.00) SLC6A4KCNA5SCN5AKCND2KCNH2
Vernakalant SCHEMBL410062 0.93 SLC6A4 (1.00) SLC6A4KCNA5SCN5AKCND2KCNH2
Vernakalant SCHEMBL12375883 0.93 SLC6A4 (1.00) SLC6A4KCNA5SCN5AKCND2KCNH2
Vernakalant SCHEMBL13204358 0.93 SLC6A4 (1.00) SLC6A4KCNA5SCN5AKCND2KCNH2
Vernakalant SCHEMBL12296079 0.93 SLC6A4 (1.00) SLC6A4KCNA5SCN5AKCND2KCNH2
Vernakalant SCHEMBL9921603 0.93 SLC6A4 (1.00) SLC6A4KCNA5SCN5AKCND2KCNH2
Vernakalant SCHEMBL411264 0.93 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1915340-B1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP (CA) 2013-08-07 EP disclosed
US-20130090483-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2013-04-11 US disclosed
US-20130090483-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2013-04-11 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-8344162-B2 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2013-01-01 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-20100217014-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2010-08-26 US disclosed
US-20100217014-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2010-08-26 US disclosed
US-7754897-B2 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2010-07-13 US disclosed
US-7754897-B2 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2010-07-13 US disclosed
US-7754897-B2 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2010-07-13 US disclosed
EP-1915340-A2 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS Cardiome Pharma Corp. (CA) 2008-04-30 EP disclosed
US-20070015924-A1 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2007-01-18 US disclosed
US-20070015924-A1 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2007-01-18 US disclosed
US-20070015924-A1 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2007-01-18 US 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 (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-20070015924-A1 Synthetic processes for the preparation of aminocyclohexyl ether compounds CYP2D6, CYP3A43, CYP2F1 SLC6A4 919/4885KCNA5 56/4885SCN5A 39/4885
US-20130090483-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 SLC6A4 919/4885KCNA5 56/4885SCN5A 39/4885
US-20100217014-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 SLC6A4 919/4885KCNA5 56/4885SCN5A 39/4885
US-20120271057-A9 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 SLC6A4 919/4885KCNA5 56/4885SCN5A 39/4885

“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.