SCHEMBL444081

SCHEMBL444081

CC(=O)O[C@@H]1CC(=O)N([C@@H]2CCCC[C@H]2OCc2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.41
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40
APH1A Q96BI3 1/20 0.40
PSENEN Q9NZ42 1/20 0.40
F2 P00734 1/20 0.39
ELANE P08246 1/20 0.39
TACR1 P25103 1/20 0.38
KLK7 P49862 1/20 0.38
CTSB P07858 2/20 0.37
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
MERTK Q12866 1/20 0.37
KCNA5 P22460 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSC P53634 1/20 0.37

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
SCHEMBL444082 1.00 SLC18A3 (0.41) SLC18A3PSEN1PSEN2APH1BNCSTN
SCHEMBL12296040 0.87 SLC18A3 (0.40) SLC18A3PSEN1PSEN2APH1BNCSTN
SCHEMBL4602773 0.84 SLC18A3 (0.40) SLC18A3
SCHEMBL4602108 0.84 SLC18A3 (0.40) SLC18A3
SCHEMBL439951 0.81 SLC6A4 (0.46) KCNA5ALDH1A1
SCHEMBL439953 0.81 SLC6A4 (0.46) KCNA5ALDH1A1
SCHEMBL439952 0.81 SLC6A4 (0.46) KCNA5ALDH1A1
SCHEMBL438872 0.81 SLC6A4 (0.46) KCNA5ALDH1A1
SCHEMBL3038532 0.80 ELANE (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL16481562 0.77 SLC6A4 (0.39) KCNA5ALDH1A1

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 12 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
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
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 (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 SLC18A3 2069/4885PSEN1 4025/4885PSEN2 3838/4885
US-20070015924-A1 Synthetic processes for the preparation of aminocyclohexyl ether compounds CYP2D6, CYP3A43, CYP2F1 SLC18A3 2069/4885PSEN1 4025/4885PSEN2 3838/4885
US-20130090483-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 SLC18A3 2069/4885PSEN1 4025/4885PSEN2 3838/4885
US-20100217014-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 SLC18A3 2069/4885PSEN1 4025/4885PSEN2 3838/4885
US-20120271057-A9 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 SLC18A3 2069/4885PSEN1 4025/4885PSEN2 3838/4885

“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.