SCHEMBL4577320

SCHEMBL4577320

N#CCNC(=O)C1(NC(=O)c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSB P07858 18/20 0.75
CTSL P07711 17/20 0.75
CTSS P25774 16/20 0.75
CTSK P43235 4/20 0.75
CTSD P07339 1/20 0.75

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
SCHEMBL4577128 0.88 CTSL (0.85) CTSBCTSLCTSSCTSKCTSD
Balicatib SCHEMBL1587772 0.86 CTSB (1.00) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576707 0.85 CTSB (1.00) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4577313 0.84 CTSL (0.54) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576796 0.84 CTSB (0.82) CTSBCTSLCTSSCTSKCTSD
SCHEMBL6185946 0.83 CTSB (1.00) CTSBCTSLCTSSCTSKCTSD
Balicatib SCHEMBL5565100 0.83 CTSB (0.90) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576522 0.83 CTSL (0.80) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576245 0.82 CTSL (0.94) CTSBCTSLCTSSCTSKCTSD
SCHEMBL6180698 0.78 CTSL (0.90) CTSBCTSLCTSSCTSKCTSD

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254124-B1 DIPEPTIDE NITRILE CATHEPSIN K INHIBITORS NOVARTIS AG (CH) 2008-07-30 EP claimed
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 claimed
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 claimed
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 claimed
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 claimed
US-20030203919-A1 Dipeptide nitrile cathepsin K inhibitors MISSBACH MARTIN (CH) 2003-10-30 US claimed
EP-1254124-A1 DIPEPTIDE NITRILE CATHPSIN K INHIBITORS Novartis AG (CH) 2002-11-06 EP claimed
US-20010016207-A1 Dipeptide nitrile cathepsin K inhibitors NOVARTIS AG (CH) 2001-08-23 US claimed
WO-2001058886-A1 DIPEPTIDE NITRILE CATHEPSIN K INHIBITORS NOVARTIS AG (CH) 2001-08-16 WO claimed
US-20230142126-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VIRAL DISEASES HEALION BIO., INC. (US) 2023-05-11 US disclosed
WO-2022072504-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VIRAL DISEASES HEALION BIO, INC. (US) 2022-04-07 WO disclosed
US-20080219996-A1 Molecular Markers Associated with Bone Metastasis NOVARTIS AG (CH) 2008-09-11 US disclosed
EP-1254124-B1 DIPEPTIDE NITRILE CATHEPSIN K INHIBITORS NOVARTIS AG (CH) 2008-07-30 EP 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
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-6642239-B2 Compounds such as N-(1-(cyanomethylcarbamoyl)cyclohexyl)-4-(piperazin-1-yl)-benzamide NOVARTIS AG (CH) 2003-11-04 US disclosed
US-20030203919-A1 Dipeptide nitrile cathepsin K inhibitors MISSBACH MARTIN (CH) 2003-10-30 US disclosed
EP-1254124-A1 DIPEPTIDE NITRILE CATHPSIN K INHIBITORS Novartis AG (CH) 2002-11-06 EP disclosed
US-20010016207-A1 Dipeptide nitrile cathepsin K inhibitors NOVARTIS AG (CH) 2001-08-23 US disclosed
WO-2001058886-A1 DIPEPTIDE NITRILE CATHEPSIN K INHIBITORS NOVARTIS AG (CH) 2001-08-16 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-20030203919-A1 Dipeptide nitrile cathepsin K inhibitors CTSK, CTSC, CTSS CTSB 8/4885CTSL 4/4885CTSS 3/4885
US-20230142126-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VIRAL DISEASES CTSV, CTSB, CTSS CTSB 2/4885CTSL 13/4885CTSS 3/4885
US-20010016207-A1 Dipeptide nitrile cathepsin K inhibitors CTSK, CTSC, CTSS CTSB 8/4885CTSL 4/4885CTSS 3/4885
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 CTSB 2/4885CTSL 11/4885CTSS 7/4885
US-20080219996-A1 Molecular Markers Associated with Bone Metastasis BST2, BSG, CD44 CTSB 445/4885CTSL 400/4885CTSS 861/4885

“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.