SCHEMBL6540887

SCHEMBL6540887

O[C@@H]1CCN([C@@H]2CCCC[C@H]2OCCc2ccccc2)C1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.67
KCNA5 P22460 9/20 0.65
SCN5A Q14524 9/20 0.65
KCND2 Q9NZV8 5/20 0.65
KCNH2 Q12809 1/20 0.65
SLC18A3 Q16572 3/20 0.44
OPRM1 P35372 4/20 0.42
ALDH1A1 P00352 1/20 0.42
OPRK1 P41145 3/20 0.41
OPRD1 P41143 1/20 0.41
LTA4H P09960 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
SCHEMBL13303641 1.00 SLC6A4 (0.67) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL13303629 1.00 SLC6A4 (0.67) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL13303673 1.00 SLC6A4 (0.67) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL409667 1.00 SLC6A4 (0.67) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL13303654 1.00 SLC6A4 (0.67) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL409675 1.00 SLC6A4 (0.67) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL409666 1.00 SLC6A4 (0.67) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL12052455 1.00 SLC6A4 (0.67) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL13303684 1.00 SLC6A4 (0.67) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL410119 1.00 SLC6A4 (0.67) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040049049-A1 Stereoselective synthesis of 1,2-disubstituted cycloalkyls JOHNSON MATTHEY PHARMACEUTICAL MATERIALS, INC. 2004-03-11 US claimed
WO-2003105756-A2 STEREOSELECTIVE SYNTHESIS OF 1,2-DISUBSTITUTED CYCLOALKYLS JOHNSON MATTHEY PHARMACEUTICAL MATERIALS, INC. (US) 2003-12-24 WO claimed
US-9586899-B2 Synthetic process for aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2017-03-07 US disclosed
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-8692002-B2 Synthetic process for aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2014-04-08 US disclosed
US-20130253205-A1 PROCESS FOR PREPARATION OF AMINOCYCLOHEXYL ETHERS AND INTERMEDIATE PRODUCTS USED IN THE PROCESS ALPHORA RESEARCH INC. (CA) 2013-09-26 US disclosed
US-20130102791-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2013-04-25 US disclosed
US-20100152464-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2010-06-17 US disclosed
US-20040049049-A1 Stereoselective synthesis of 1,2-disubstituted cycloalkyls JOHNSON MATTHEY PHARMACEUTICAL MATERIALS, INC. 2004-03-11 US disclosed
US-20040049049-A1 Stereoselective synthesis of 1,2-disubstituted cycloalkyls JOHNSON MATTHEY PHARMACEUTICAL MATERIALS, INC. 2004-03-11 US disclosed
WO-2003105756-A3 STEREOSELECTIVE SYNTHESIS OF 1,2-DISUBSTITUTED CYCLOALKYLS JOHNSON MATTHEY PHARMACEUTICAL (US) 2004-03-04 WO disclosed
WO-2003105756-A2 STEREOSELECTIVE SYNTHESIS OF 1,2-DISUBSTITUTED CYCLOALKYLS JOHNSON MATTHEY PHARMACEUTICAL MATERIALS, INC. (US) 2003-12-24 WO disclosed
WO-2003105756-A2 STEREOSELECTIVE SYNTHESIS OF 1,2-DISUBSTITUTED CYCLOALKYLS JOHNSON MATTHEY PHARMACEUTICAL MATERIALS, INC. (US) 2003-12-24 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 (5 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-20130102791-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS DDC, PAICS, CYP4F2 SLC6A4 2113/4885KCNA5 3600/4885SCN5A 3852/4885
US-20150336887-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS DDC, PAICS, CYP4F2 SLC6A4 2113/4885KCNA5 3600/4885SCN5A 3852/4885
US-20040049049-A1 Stereoselective synthesis of 1,2-disubstituted cycloalkyls CYP8B1, AGTR1, AGTR2 SLC6A4 4235/4885KCNA5 2274/4885SCN5A 2770/4885
US-20100152464-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS DDC, PAICS, CYP4F2 SLC6A4 2113/4885KCNA5 3600/4885SCN5A 3852/4885
US-20130253205-A1 PROCESS FOR PREPARATION OF AMINOCYCLOHEXYL ETHERS AND INTERMEDIATE PRODUCTS USED IN THE PROCESS CYP3A4, AASDHPPT, CYP4A11 SLC6A4 1806/4885KCNA5 1820/4885SCN5A 1336/4885

“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.