SCHEMBL409845

SCHEMBL409845

COc1cc(CCO[C@@H]2CCCC[C@@H]2N2CC[C@@H](O)C2)ccc1C

nearest known ligand 0.86

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.86
KCNA5 P22460 6/20 0.84
SCN5A Q14524 6/20 0.84
KCND2 Q9NZV8 5/20 0.84
KCNH2 Q12809 1/20 0.84
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
OPRK1 P41145 6/20 0.36
OPRM1 P35372 2/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL410629 1.00 SLC6A4 (0.86) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL12295956 1.00 SLC6A4 (0.86) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL13873180 1.00 SLC6A4 (0.86) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL410688 1.00 SLC6A4 (0.86) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL410181 1.00 SLC6A4 (0.86) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL411122 1.00 SLC6A4 (0.86) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL15081846 1.00 SLC6A4 (0.86) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL14440563 1.00 SLC6A4 (0.86) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL14849220 1.00 SLC6A4 (0.86) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL13098028 1.00 SLC6A4 (0.86) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20070197632-A1 Aminocyclohexyl ether compounds and uses thereof CARDIOME PHARMA CORP (CA) 2007-08-23 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 (4 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-20070197632-A1 Aminocyclohexyl ether compounds and uses thereof KCNH2, KCNC1, KCNH3 SLC6A4 1837/4885KCNA5 16/4885SCN5A 24/4885
US-20130090483-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.