SCHEMBL411142

SCHEMBL411142

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.37
CHRM1 P11229 2/20 0.37
CHRM4 P08173 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC18A3 Q16572 4/20 0.34
ALDH1A1 P00352 2/20 0.31
CYP2D6 P10635 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP2C9 P11712 1/20 0.30
POLB P06746 2/20 0.30
TSHR P16473 1/20 0.30
HSD11B1 P28845 1/20 0.30

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
SCHEMBL2949351 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM4CHRM3SLC18A3
SCHEMBL14599843 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM4CHRM3SLC18A3
SCHEMBL411121 1.00 CHRM2 (0.37) CHRM2CHRM1CHRM4CHRM3SLC18A3
SCHEMBL14599844 0.85 CHRM2 (0.37) CHRM2CHRM1CHRM4CHRM3SLC18A3
SCHEMBL12052490 0.85 CHRM2 (0.37) CHRM2CHRM1CHRM4CHRM3SLC18A3
SCHEMBL12052508 0.85 CHRM2 (0.37) CHRM2CHRM1CHRM4CHRM3SLC18A3
SCHEMBL12296033 0.83 CHRM2 (0.35) CHRM2CHRM1CHRM4CHRM3SLC18A3
SCHEMBL4602108 0.76 SLC18A3 (0.40) SLC18A3
SCHEMBL4602773 0.76 SLC18A3 (0.40) SLC18A3
SCHEMBL444081 0.74 SLC18A3 (0.41) SLC18A3ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 CHRM2 327/4885CHRM1 481/4885CHRM4 763/4885
US-20100217014-A1 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 CHRM2 327/4885CHRM1 481/4885CHRM4 763/4885
US-20120271057-A9 SYNTHETIC PROCESSES FOR THE PREPARATION OF AMINOCYCLOHEXYL ETHER COMPOUNDS CYP2D6, CYP3A43, CYP2F1 CHRM2 327/4885CHRM1 481/4885CHRM4 763/4885

“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.