SCHEMBL4906555

SCHEMBL4906555

OC(C(O)C1(COc2ccnc(N3CCOCC3)n2)CCC1)C1(COc2ccnc(N3CCOCC3)n2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.46
MGLL Q99685 1/20 0.44
PIK3CA P42336 3/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CD O00329 1/20 0.42
PIK3R1 P27986 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
FLT3 P36888 2/20 0.40
ACHE P22303 3/20 0.40
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK9 P50750 1/20 0.39
MTOR P42345 5/20 0.39
PIK3CG P48736 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 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
SCHEMBL4906516 0.85 NUDT1 (0.51) CTSKMGLLPIK3CAPIK3CBPIK3CD
SCHEMBL4904564 0.85 NUDT1 (0.51) CTSKMGLLPIK3CAPIK3CBPIK3CD
SCHEMBL6492914 0.82 CA12 (0.43) CTSKMGLLPIK3CAPIK3CBPIK3CD
SCHEMBL6492920 0.82 CTSK (0.44) CTSKMGLLPIK3CAPIK3CBPIK3CD
SCHEMBL4906670 0.71 CTSK (0.52) CTSKCA12CA1CA2CA9
SCHEMBL3111817 0.71 SIGMAR1 (0.46) PIK3CAPIK3CBPIK3CDPIK3R1CA12
SCHEMBL4900942 0.71 NUDT1 (0.51) CTSKCA12CA1CA2CA9
SCHEMBL6479471 0.68 CA12 (0.44) CTSKCA12CA1CA2CA9
SCHEMBL6480511 0.68 MAPT (0.48) CTSKCA12CA1CA2CA9
SCHEMBL6480512 0.68 MAPT (0.48) CTSKCA12CA1CA2CA9

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-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 US disclosed
US-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 US disclosed
US-20050054819-A1 Cycloalkyl ketoamides derivatives useful as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-03-10 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 (2 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 CTSK 1/4885MGLL 668/4885PIK3CA 435/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE CTSK 1/4885MGLL 668/4885PIK3CA 435/4885

“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.