SCHEMBL670771

SCHEMBL670771

COc1ccc(CCO[C@H]2CCCC[C@@H]2N)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.60
KCNA5 P22460 5/20 0.58
SCN5A Q14524 5/20 0.58
KCND2 Q9NZV8 5/20 0.58
KCNH2 Q12809 1/20 0.58
CYP19A1 P11511 1/20 0.50
ATM Q13315 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
EPHX1 P07099 1/20 0.44
AOC3 Q16853 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA2 P00918 1/20 0.42

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
SCHEMBL670071 1.00 SLC6A4 (0.60) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL670256 1.00 SLC6A4 (0.60) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL15031952 1.00 SLC6A4 (0.60) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL670097 1.00 SLC6A4 (0.60) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL13326771 1.00 SLC6A4 (0.60) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL670486 1.00 SLC6A4 (0.60) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL670098 1.00 SLC6A4 (0.60) SLC6A4KCNA5SCN5AKCND2KCNH2
Hydrochloric Acid SCHEMBL3338447 0.99 KCNA5 (0.60) SLC6A4KCNA5SCN5AKCND2KCNH2
Oxalic Acid SCHEMBL669810 0.93 SLC6A4 (0.56) SLC6A4KCNA5SCN5AKCND2KCNH2
Oxalic Acid SCHEMBL669809 0.93 SLC6A4 (0.56) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150259284-A1 PROCESS FOR PREPARING AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME INTERNATIONAL SA (CH) 2015-09-17 US disclosed
US-20150259284-A1 PROCESS FOR PREPARING AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME INTERNATIONAL SA (CH) 2015-09-17 US disclosed
EP-2606139-B1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (1R,2R)-2-(3,4-DIMETHOXYPHENETHOXY)CYCLOHEXANAMINE CODEXIS INC (US) 2015-07-15 EP disclosed
EP-2606139-B1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (1R,2R)-2-(3,4-DIMETHOXYPHENETHOXY)CYCLOHEXANAMINE CODEXIS INC (US) 2015-07-15 EP disclosed
US-9006460-B2 Process for preparing aminocyclohexyl ether compounds CARDIOME INTERNATIONAL AG (CH) 2015-04-14 US disclosed
US-9006460-B2 Process for preparing aminocyclohexyl ether compounds CARDIOME INTERNATIONAL AG (CH) 2015-04-14 US disclosed
US-8932836-B2 Biocatalysts and methods for the synthesis of (1R,2R)-2-(3,4-dimethoxyphenethoxy)cyclohexanamine CODEXIS, INC. (US) 2015-01-13 US disclosed
US-8932836-B2 Biocatalysts and methods for the synthesis of (1R,2R)-2-(3,4-dimethoxyphenethoxy)cyclohexanamine CODEXIS, INC. (US) 2015-01-13 US disclosed
US-8932836-B2 Biocatalysts and methods for the synthesis of (1R,2R)-2-(3,4-dimethoxyphenethoxy)cyclohexanamine CODEXIS, INC. (US) 2015-01-13 US disclosed
US-20130164794-A1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (1R,2R)-2-(3,4-DIMETHOXYPHENETHOXY)CYCLOHEXAMINE CODEXIS, INC. (US) 2013-06-27 US disclosed
US-20130164794-A1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (1R,2R)-2-(3,4-DIMETHOXYPHENETHOXY)CYCLOHEXAMINE CODEXIS, INC. (US) 2013-06-27 US disclosed
US-20130164794-A1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (1R,2R)-2-(3,4-DIMETHOXYPHENETHOXY)CYCLOHEXAMINE CODEXIS, INC. (US) 2013-06-27 US disclosed
EP-2606139-A2 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (1R,2R)-2-(3,4-DIMETHOXYPHENETHOXY)CYCLOHEXANAMINE Codexis, Inc. (US) 2013-06-26 EP disclosed
US-20130149751-A1 PROCESS FOR PREPARING AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME INTERNATIONAL SA (CH) 2013-06-13 US disclosed
US-20130149751-A1 PROCESS FOR PREPARING AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME INTERNATIONAL SA (CH) 2013-06-13 US disclosed
WO-2012024104-A2 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (1R,2R)-2-(3,4-DIMETHOXYPHENETHOXY)CYCLOHEXANAMINE CODEXIS, INC. (US) 2012-02-23 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 (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-20150259284-A1 PROCESS FOR PREPARING AMINOCYCLOHEXYL ETHER COMPOUNDS CYP3A43, CYP4B1, CYP3A4 SLC6A4 2792/4885KCNA5 1842/4885SCN5A 1774/4885

“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.