SCHEMBL12295985

SCHEMBL12295985

[2H]C([2H])([2H])Oc1ccc(CCO[C@@H]2CCCC[C@H]2N2CC[C@@H](OC(C)=O)C2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 1/20 0.66
▸ KCNA5 P22460 6/20 0.65
▸ SCN5A Q14524 6/20 0.65
▸ KCND2 Q9NZV8 5/20 0.65
▸ KCNH2 Q12809 1/20 0.65
▸ CHRM5 P08912 3/20 0.41
▸ CHRM1 P11229 3/20 0.41
▸ CHRM3 P20309 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ POLB P06746 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ EPHX1 P07099 1/20 0.38

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
SCHEMBL2624897 0.95 SLC6A4 (0.72) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL14459896 0.95 SLC6A4 (0.72) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL942130 0.95 SLC6A4 (0.72) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL2632639 0.95 SLC6A4 (0.72) SLC6A4KCNA5SCN5AKCND2KCNH2
Hydrochloric Acid SCHEMBL1016965 0.95 KCNA5 (0.72) SLC6A4KCNA5SCN5AKCND2KCNH2
Hydrochloric Acid SCHEMBL1419021 0.95 KCNA5 (0.72) SLC6A4KCNA5SCN5AKCND2KCNH2
Hydrochloric Acid SCHEMBL1016912 0.95 KCNA5 (0.72) SLC6A4KCNA5SCN5AKCND2KCNH2
Hydrochloric Acid SCHEMBL941452 0.95 KCNA5 (0.72) SLC6A4KCNA5SCN5AKCND2KCNH2
Hydrochloric Acid SCHEMBL5523721 0.95 KCNA5 (0.72) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL13198873 0.89 SLC6A4 (0.62) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8022098-B2 Deuterated aminocyclohexyl ether compounds and processes for preparing same CARDIOME PHARMA CORP. (CA) 2011-09-20 — — US disclosed
US-20100152276-A1 DEUTERATED AMINOCYCLOHEXYL ETHER COMPOUNDS AND PROCESSES FOR PREPARING SAME CARDIOME PHARMA CORP. (CA) 2010-06-17 — — 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 (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-20100152276-A1 DEUTERATED AMINOCYCLOHEXYL ETHER COMPOUNDS AND PROCESSES FOR PREPARING SAME DDC, HDHD5, DDT SLC6A4 2668/4885KCNA5 2363/4885SCN5A 4208/4885

“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.

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