SCHEMBL13917138

SCHEMBL13917138

COc1ccc(CCOC2CCCC[C@H]2NC(=O)OCc2ccccc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.48
KCNA5 P22460 5/20 0.48
SCN5A Q14524 5/20 0.48
KCND2 Q9NZV8 5/20 0.48
KCNH2 Q12809 1/20 0.48
EPHX1 P07099 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
CPB1 P15086 1/20 0.45
ALDH1A1 P00352 3/20 0.45
FKBP1A P62942 1/20 0.45
TSHR P16473 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
ACHE P22303 2/20 0.44
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44

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
SCHEMBL13326288 1.00 SLC6A4 (0.48) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL18596764 0.83 SLC6A4 (0.51) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL3338757 0.79 CHRM5 (0.48) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL16706902 0.78 SLC6A4 (0.57) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL28914412 0.77 CPB1 (0.58) EPHX1CPB1ALDH1A1TSHR
SCHEMBL19630135 0.77 CPB1 (0.58) EPHX1CPB1ALDH1A1TSHR
SCHEMBL28914414 0.77 CPB1 (0.58) EPHX1CPB1ALDH1A1TSHR
SCHEMBL20749075 0.77 CPB1 (0.58) EPHX1CPB1ALDH1A1TSHR
SCHEMBL2632423 0.76 SLC6A4 (0.52) SLC6A4KCNA5SCN5AKCND2KCNH2
SCHEMBL13326777 0.76 SLC6A4 (0.58) 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-20090069404-A1 DEUTERIUM-ENRICHED VERNAKALANT PROTIA, LLC (US) 2009-03-12 US disclosed
US-20090069404-A1 DEUTERIUM-ENRICHED VERNAKALANT PROTIA, LLC (US) 2009-03-12 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-20090069404-A1 DEUTERIUM-ENRICHED VERNAKALANT VRK1, VRK2, VDR SLC6A4 594/4885KCNA5 1420/4885SCN5A 1397/4885

“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.