SCHEMBL4577571

SCHEMBL4577571

CCN1CCN(c2cccc(C[C](C)C)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.56
DRD2 P14416 3/20 0.49
DRD3 P35462 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 2/20 0.47
RAD52 P43351 2/20 0.47
KHK P50053 2/20 0.46
ITGB3 P05106 2/20 0.45
ITGA2B P08514 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AGXT P21549 1/20 0.44
OPRM1 P35372 1/20 0.44
HSD11B1 P28845 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL5790197 0.84 AGXT (0.61) DRD2DRD3ITGB3ITGA2BNPC1
SCHEMBL4576036 0.84 PRMT6 (0.59) DRD2DRD3MEN1KMT2AGAA
SCHEMBL4577257 0.83 DRD2 (0.50) DRD2DRD3KDM4EMAPTSMN1; SMN2
SCHEMBL4576963 0.83 DRD2 (0.48) DRD2DRD3AGXTOPRM1KCNH2
SCHEMBL2376462 0.81 CHRNA7 (0.59) CHRNA7DRD2DRD3GAARAD52
SCHEMBL4577356 0.81 KDM4E (0.47) DRD2DRD3KHKITGB3ITGA2B
SCHEMBL8352129 0.79 CHRNA7 (0.56) CHRNA7DRD2DRD3GAARAD52
SCHEMBL4577574 0.79 CHRNA7 (0.56) CHRNA7DRD2DRD3GAARAD52
SCHEMBL5787879 0.78 HTR1A (0.61) MEN1KMT2AITGB3ITGA2BMAPT
SCHEMBL1599712 0.78 DRD2 (0.77) CHRNA7DRD2DRD3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1549717-B Cysteine protease inhibitors having 2-cyano-4-aminopyrimidine structure and cathepsin K inhibitory activity and pharmaceutical use thereof NOVARTIS AG 2011-08-17 CN disclosed
US-20080219996-A1 Molecular Markers Associated with Bone Metastasis NOVARTIS AG (CH) 2008-09-11 US disclosed
CN-100406016-C Combination of cathepsin K inhibitors and bisphosphonates for the treatment of bone metastasis, tumor growth and tumor-induced bone loss NOVARTIS AG (CH) 2008-07-30 CN disclosed
US-20070135448-A1 Use of cathepsin k inhibitors for treating of severe bone loss diseases MISSBACH MARTIN 2007-06-14 US disclosed
CN-1882343-A Use of cathepsin k inhibitors for treating of severe bone loss diseases NOVARTIS AG (CH) 2006-12-20 CN 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
CN-1826124-A Combination of cathepsin K inhibitors and bisphosphonates for the treatment of bone metastasis, tumor growth and tumor-induced bone loss NOVARTIS AG (CH) 2006-08-30 CN 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
CN-1549717-A Cysteine protease inhibitors having 2-cyano-4-aminopyrimidine structure and cathepsin K inhibitory activity for the treatment of inflammation and other diseases ��˹��ŵ�� 2004-11-24 CN 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 4681/4885DRD3 4469/4885
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 4763/4885DRD3 4775/4885
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 4518/4885DRD3 4103/4885
US-20080219996-A1 Molecular Markers Associated with Bone Metastasis BST2, BSG, CD44 CHRNA7 4406/4885DRD2 4666/4885DRD3 4577/4885
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 4752/4885DRD3 4788/4885

“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.