SCHEMBL6479463

SCHEMBL6479463

[CH2]C1(COc2ccnc(N3CCN(C)CC3)n2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CTSK P43235 1/20 0.43
ACHE P22303 4/20 0.42
HRH4 Q9H3N8 2/20 0.37
HTR3A P46098 1/20 0.37
CCR4 P51679 1/20 0.37
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
CDK9 P50750 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
SCHEMBL6479471 0.86 CA12 (0.44) CA12CA1CA2CA9CTSK
SCHEMBL6480511 0.85 MAPT (0.48) CA12CA1CA2CA9CTSK
SCHEMBL6492914 0.85 CA12 (0.43) CA12CA1CA2CA9CTSK
SCHEMBL4900942 0.83 NUDT1 (0.51) CA12CA1CA2CA9CTSK
SCHEMBL20075911 0.78 CA12 (0.49) CA12CA1CA2CA9ACHE
SCHEMBL18551071 0.77 CA12 (0.48) CA12CA1CA2CA9ACHE
SCHEMBL19605000 0.76 CA12 (0.47) CA12CA1CA2CA9ACHE
SCHEMBL28019839 0.75 OGA (0.51) CA12CA1CA2CA9ACHE
SCHEMBL30230144 0.75 OGA (0.51) CA12CA1CA2CA9ACHE
SCHEMBL23867275 0.75 HRH4 (0.50) CA12CA1CA2CA9ACHE

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-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-03-10 US claimed
EP-1465862-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-10-13 EP claimed
WO-2003062192-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-31 WO claimed

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-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors CTSK, CTSS, CTSE CA12 3068/4885CA1 2384/4885CA2 1505/4885

“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.