SCHEMBL439953

SCHEMBL439953

COc1cc(CCOC2CCCCC2N2C(=O)CC(OC(C)=O)C2=O)ccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.46
KCNA5 P22460 5/20 0.45
SCN5A Q14524 5/20 0.45
KCND2 Q9NZV8 5/20 0.45
KCNH2 Q12809 1/20 0.45
MTNR1A P48039 2/20 0.44
MTNR1B P49286 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
APP P05067 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PKM P14618 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
MAPK1 P28482 1/20 0.41

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
SCHEMBL439951 1.00 SLC6A4 (0.46) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL439952 1.00 SLC6A4 (0.46) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL438872 0.97 SLC6A4 (0.46) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL12052506 0.91 SLC6A4 (0.55) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL2437322 0.91 SLC6A4 (0.55) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL18596750 0.91 SLC6A4 (0.55) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL14405477 0.91 SLC6A4 (0.55) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL12327944 0.89 SLC6A4 (0.47) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL12296001 0.87 SLC6A4 (0.51) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL12295982 0.87 SLC6A4 (0.51) 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 10 patents. 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
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-7754897-B2 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2010-07-13 US disclosed
US-20070015924-A1 Synthetic processes for the preparation of aminocyclohexyl ether compounds CARDIOME PHARMA CORP. (CA) 2007-01-18 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 (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-20120065408-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 SLC6A4 919/4885KCNA5 56/4885SCN5A 39/4885
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.