SCHEMBL4577142

SCHEMBL4577142

CCN1CCN(c2cccc(CC(C)(C)C=O)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.49
DRD2 P14416 6/20 0.44
GAA P10253 2/20 0.43
RAD52 P43351 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KHK P50053 2/20 0.42
SIGMAR1 Q99720 2/20 0.41

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
SCHEMBL8352129 0.85 CHRNA7 (0.56) CHRNA7DRD2GAARAD52KDM4E
SCHEMBL4575666 0.85 DRD2 (0.45) DRD2SIGMAR1
SCHEMBL4576790 0.84 DRD2 (0.47) DRD2SIGMAR1
SCHEMBL4576540 0.83 GAA (0.55) CHRNA7GAARAD52KDM4EMAPT
SCHEMBL4577137 0.82 CHRNA7 (0.49) CHRNA7DRD2GAARAD52KDM4E
SCHEMBL2376462 0.76 CHRNA7 (0.59) CHRNA7DRD2GAARAD52KDM4E
SCHEMBL29946558 0.75 CHRNA7 (0.57) CHRNA7DRD2GAARAD52KDM4E
SCHEMBL29126309 0.75 CHRNA7 (0.57) CHRNA7DRD2GAARAD52KDM4E
SCHEMBL1126080 0.74 GAA (0.66) CHRNA7DRD2GAARAD52KDM4E
SCHEMBL30647354 0.74 GAA (0.66) CHRNA7DRD2GAARAD52KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080219996-A1 Molecular Markers Associated with Bone Metastasis NOVARTIS AG (CH) 2008-09-11 US disclosed
EP-1931994-A2 MOLECULAR MARKERS ASSOCIATED WITH BONE METASTASIS Novartis AG (CH) 2008-06-18 EP disclosed
US-20070135448-A1 Use of cathepsin k inhibitors for treating of severe bone loss diseases MISSBACH MARTIN 2007-06-14 US disclosed
WO-2007038397-A2 MOLECULAR MARKERS ASSOCIATED WITH BONE METASTASIS NOVARTIS AG (CH) 2007-04-05 WO disclosed
US-20060281714-A1 Combinations of a cathepsin k inhibitor and a bisphosphonate in the treatment of bone metastasis, tumor growth and tumor-induced bone loss ZIMMERMANN JOHANN 2006-12-14 US disclosed
EP-1423121-B1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES NOVARTIS AG (CH) 2006-11-15 EP disclosed
US-7112589-B2 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin k inhibitory activity for the treatment of inflammations and other diseases NOVARTIS AG (CH) 2006-09-26 US disclosed
EP-1686995-A1 USE OF CATHEPSIN K INHIBITORS FOR TREATING OF SEVERE BONE LOSS DISEASES Novartis AG (CH) 2006-08-09 EP disclosed
EP-1651238-A1 COMBINATIONS OF A CATHEPSIN K INHIBITOR AND A BISPHOPHONATE IN THE TREATMENT OF BONE METASTASIS, TUMOR GROWTH AND TUMOR-INDUCED BONE LOSS Novartis AG (CH) 2006-05-03 EP disclosed
US-20060074092-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammations and other diseases ALTMANN EVA 2006-04-06 US disclosed
WO-2005049028-A1 USE OF CATHEPSIN K INHIBITORS IN SEVERE BONE LOSS DISEASES NOVARTIS AG (CH) 2005-06-02 WO disclosed
WO-2005014006-A1 COMBINATIONS OF A CATHEPSIN K INHIBITOR AND A BISPHOPHONATE IN THE TREATMENT OF BONE METASTASIS, TUMOR GROWTH AND TUMOR-INDUCED BONE LOSS NOVARTIS AG (CH) 2005-02-17 WO disclosed
US-20040249153-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin k inhibitory activity for the treatment of inflammations and other diseases NOVARTIS AG (CH) 2004-12-09 US disclosed
EP-1423121-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020278-A1 CYSTEINE PROTEASE INHIBITORS WITH 2-CYANO-4-AMINO-PYRIMIDINE STRUCTURE AND CATHEPSIN K INHIBITORY ACTIVITY FOR THE TREATMENT OF INFLAMMATIONS AND OTHER DISEASES NOVARTIS AG (CH) 2003-03-13 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 (5 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-20070135448-A1 Use of cathepsin k inhibitors for treating of severe bone loss diseases CTSK, CTSB, CTSZ CHRNA7 4836/4885DRD2 4681/4885GAA 37/4885
US-20040249153-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin k inhibitory activity for the treatment of inflammations and other diseases CTSK, CTSS, CTSZ CHRNA7 3894/4885DRD2 4763/4885GAA 381/4885
US-20060281714-A1 Combinations of a cathepsin k inhibitor and a bisphosphonate in the treatment of bone metastasis, tumor growth and tumor-induced bone loss CTSK, CTSB, CTSZ CHRNA7 4675/4885DRD2 4518/4885GAA 98/4885
US-20080219996-A1 Molecular Markers Associated with Bone Metastasis BST2, BSG, CD44 CHRNA7 4406/4885DRD2 4666/4885GAA 4498/4885
US-20060074092-A1 Cysteine protease inhibitors with 2-cyano-4-amino-pyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammations and other diseases CTSK, CTSS, CTSZ CHRNA7 4044/4885DRD2 4752/4885GAA 378/4885

“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.