SCHEMBL4576471

SCHEMBL4576471

CN(C#N)C(=O)C1(NC(=O)c2ccc(C3CCNCC3)cc2)CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.44
CTSB P07858 9/20 0.44
CTSS P25774 9/20 0.44
CTSK P43235 2/20 0.43
P2RY14 Q15391 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
SCHEMBL4576428 0.87 CTSB (0.49) CTSLCTSBCTSSCTSK
SCHEMBL6053160 0.86 CTSL (0.43) CTSLCTSBCTSSCTSKP2RY14
SCHEMBL4576009 0.84 CTSB (0.41) CTSLCTSBCTSSCTSK
SCHEMBL4576580 0.84 CTSB (0.41) CTSLCTSBCTSSCTSK
SCHEMBL4577118 0.82 CTSB (0.52) CTSLCTSBCTSSCTSK
SCHEMBL4576474 0.81 CTSL (0.66) CTSLCTSBCTSSCTSK
SCHEMBL4576241 0.81 CTSB (0.65) CTSLCTSBCTSSCTSK
SCHEMBL4576214 0.81 CTSB (0.55) CTSLCTSBCTSSCTSK
SCHEMBL6182748 0.80 CTSL (0.49) CTSLCTSBCTSSCTSK
SCHEMBL6182603 0.80 CTSL (0.49) CTSLCTSBCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
US-20070191392-A1 DIPEPTIDE NITRILE CATHESPIN K INHIBITORS NORVARTIS AG (CH) 2007-08-16 US disclosed
US-20070135448-A1 Use of cathepsin k inhibitors for treating of severe bone loss diseases MISSBACH MARTIN 2007-06-14 US 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-1686995-A1 USE OF CATHEPSIN K INHIBITORS FOR TREATING OF SEVERE BONE LOSS DISEASES Novartis AG (CH) 2006-08-09 EP disclosed
US-20050267129-A1 Dipeptide nitrile cathepsin K inhibitors NORVARTIS AG (CH) 2005-12-01 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-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 (8 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 CTSL 10/4885CTSB 2/4885CTSS 8/4885
US-20030203919-A1 Dipeptide nitrile cathepsin K inhibitors CTSK, CTSC, CTSS CTSL 4/4885CTSB 8/4885CTSS 3/4885
US-20230142126-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF VIRAL DISEASES CTSV, CTSB, CTSS CTSL 13/4885CTSB 2/4885CTSS 3/4885
US-20050267129-A1 Dipeptide nitrile cathepsin K inhibitors CTSK, CTSL, CTSV CTSL 2/4885CTSB 7/4885CTSS 4/4885
US-20010016207-A1 Dipeptide nitrile cathepsin K inhibitors CTSK, CTSC, CTSS CTSL 4/4885CTSB 8/4885CTSS 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 CTSL 11/4885CTSB 2/4885CTSS 7/4885
US-20070191392-A1 DIPEPTIDE NITRILE CATHESPIN K INHIBITORS CTSL, CTSK, CTSC CTSL 1/4885CTSB 14/4885CTSS 6/4885
US-20080219996-A1 Molecular Markers Associated with Bone Metastasis BST2, BSG, CD44 CTSL 400/4885CTSB 445/4885CTSS 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.