SCHEMBL4577358

SCHEMBL4577358

CN1CCN(c2cccc(CC[C]=O)c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.57
ADRA2C P18825 1/20 0.51
SIGMAR1 Q99720 2/20 0.45
PLOD2 O00469 1/20 0.43
PLOD3 O60568 1/20 0.43
PLOD1 Q02809 1/20 0.43
HTR3A P46098 1/20 0.43
PRMT6 Q96LA8 1/20 0.42
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR6 P50406 4/20 0.41
HTR2A P28223 2/20 0.41
HTR1A P08908 1/20 0.41
HTR2C P28335 1/20 0.41
HTR7 P34969 1/20 0.41
DRD3 P35462 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 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
SCHEMBL4576248 0.86 AGXT (0.54) AGXTSIGMAR1PRMT6L3MBTL3L3MBTL1
SCHEMBL4576889 0.81 CHKA (0.51) ADRA2CL3MBTL1
SCHEMBL8222798 0.81 AGXT (0.63) AGXTADRA2CSIGMAR1HTR3APRMT6
SCHEMBL5790198 0.80 AGXT (0.66) AGXTADRA2CSIGMAR1HTR3APRMT6
SCHEMBL4577362 0.79 AGXT (0.57) AGXTADRA2CSIGMAR1PLOD2PLOD3
SCHEMBL27620412 0.79 AGXT (0.60) AGXTADRA2CSIGMAR1HTR7DRD3
SCHEMBL8189615 0.78 AGXT (0.67) AGXTADRA2CPLOD2PLOD3PLOD1
SCHEMBL3600598 0.76 AGXT (0.65) AGXTADRA2CPLOD2PLOD3PLOD1
SCHEMBL109344 0.76 AGXT (0.69) AGXTADRA2CPLOD2PLOD3PLOD1
SCHEMBL15505050 0.76 AGXT (0.65) AGXTADRA2CSIGMAR1PLOD2PLOD3

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 11 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
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
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

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 AGXT 2994/4885ADRA2C 4493/4885SIGMAR1 4880/4885
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 AGXT 1279/4885ADRA2C 3219/4885SIGMAR1 4150/4885
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 AGXT 4398/4885ADRA2C 3781/4885SIGMAR1 4881/4885
US-20080219996-A1 Molecular Markers Associated with Bone Metastasis BST2, BSG, CD44 AGXT 4502/4885ADRA2C 4537/4885SIGMAR1 2689/4885
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 AGXT 1197/4885ADRA2C 3283/4885SIGMAR1 4489/4885

“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.