SCHEMBL633762

SCHEMBL633762

COc1ccc2nccc(CCC3CCNC3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 9/20 0.43
▸ DYRK3 O43781 1/20 0.37
▸ CLK1 P49759 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ CLK3 P49761 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ DYRK2 Q92630 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ DYRK4 Q9NR20 1/20 0.37
▸ DYRK1B Q9Y463 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
SCHEMBL3251893 0.78 KCNH2 (0.46) KCNH2
SCHEMBL3251889 0.78 KCNH2 (0.46) KCNH2
SCHEMBL1148040 0.77 KCNH2 (0.47) KCNH2
SCHEMBL1148038 0.77 KCNH2 (0.47) KCNH2
SCHEMBL5657705 0.75 KCNH2 (0.57) KCNH2
SCHEMBL12844555 0.75 KCNH2 (0.44) KCNH2
SCHEMBL3958709 0.74 KCNH2 (0.55) KCNH2
SCHEMBL591651 0.73 KCNH2 (0.48) KCNH2
SCHEMBL703523 0.73 KCNH2 (0.44) KCNH2
SCHEMBL4062339 0.73 KCNH2 (0.44) KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9505750-B2 5-aminocyclylmethyl-oxazolidin-2-one derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-29 — — US disclosed
EP-2245028-B1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-02-22 — — EP disclosed
US-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2011-01-06 — — 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-20110003789-A1 5-AMINOCYCLYLMETHYL-OXAZOLIDIN-2-ONE DERIVATIVES CNKSR1, KCNH1, CBR3 KCNH2 31/4885DYRK3 1592/4885CLK1 2956/4885

“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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