SCHEMBL4896945

SCHEMBL4896945

OCC1(Cc2ccccc2)CCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.52
LMNA P02545 3/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
POLB P06746 3/20 0.50
ALDH1A1 P00352 4/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL4896837 0.98 GAA (0.51) GAALMNAMEN1KMT2APOLB
SCHEMBL4904341 0.96 GAA (0.52) GAALMNAMEN1KMT2APOLB
SCHEMBL2808245 0.91 GAA (0.58) GAALMNAMEN1KMT2APOLB
SCHEMBL8347115 0.87 MAOA (0.54) GAAPOLBALDH1A1NPC1RAB9A
SCHEMBL4581280 0.85 MAOA (0.52) GAAKMT2APOLBALDH1A1MAOA
SCHEMBL1588016 0.85 MAOA (0.52) GAAKMT2APOLBALDH1A1MAOA
SCHEMBL268688 0.85 MAOA (0.52) GAAKMT2APOLBALDH1A1MAOA
SCHEMBL1220833 0.82 GAA (0.48) GAALMNAMEN1KMT2APOLB
SCHEMBL7818237 0.82 GAA (0.43) GAALMNAMEN1KMT2APOLB
SCHEMBL156160 0.82 MAOA (0.54) GAAPOLBALDH1A1NPC1RAB9A

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 9 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-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CATALANO JOHN G 2008-03-06 US disclosed
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-7282512-B2 Cycloalkyl ketoamides derivatives useful as cathepsin K inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-10-16 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
EP-1465862-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-10-13 EP disclosed
WO-2003062192-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-07-31 WO 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 GAA 161/4885LMNA 2025/4885MEN1 4424/4885
US-20080058333-A1 CYCLOALKYL KETOAMIDES DERIVATIVES USEFUL AS CATHEPSIN K INHIBITORS CTSK, CTSS, CTSE GAA 161/4885LMNA 2025/4885MEN1 4424/4885

“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.