SCHEMBL4576260

SCHEMBL4576260

CCCN1CCN(c2ccc(C(=O)NC3(C(=O)N(C)C#N)CCCCC3)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSB P07858 16/20 0.72
CTSL P07711 15/20 0.72
CTSS P25774 14/20 0.72
CTSK P43235 5/20 0.72
CTSD P07339 1/20 0.72
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42

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
Maleic Acid SCHEMBL5565097 0.95 CTSB (0.65) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4577119 0.92 CTSB (0.60) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576791 0.91 CTSB (0.59) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576702 0.89 CTSB (0.68) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4577313 0.86 CTSL (0.54) CTSBCTSLCTSSCTSKCTSD
SCHEMBL6185943 0.85 CTSB (0.68) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4577118 0.85 CTSB (0.52) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576517 0.84 CTSB (0.54) CTSBCTSLCTSSCTSKCTSD
SCHEMBL4576241 0.84 CTSB (0.65) CTSBCTSLCTSSCTSKCTSD
SCHEMBL1840958 0.84 CTSL (0.73) 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 38 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-20070135448-A1 Use of cathepsin k inhibitors for treating of severe bone loss diseases MISSBACH MARTIN 2007-06-14 US 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
WO-2006063762-A1 DIPEPTIDE NITRILES NOVARTIS AG (CH) 2006-06-22 WO claimed
US-6642239-B2 Compounds such as N-(1-(cyanomethylcarbamoyl)cyclohexyl)-4-(piperazin-1-yl)-benzamide NOVARTIS AG (CH) 2003-11-04 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
EP-3831400-A1 USE OF INHIBITORS OF IL-36 PROTEOLYTIC PROCESSING FOR THE TREATMENT AND/OR REDUCTION OF INFLAMMATION The Provost, Fellows, Foundation Scholars, & the other members of Board, of the College of the Holy & Undiv. Trinity of Queen Elizabeth near Dublin (IE) 2021-06-09 EP disclosed
US-20200384062-A1 USE OF INHIBITORS OF IL-36 PROTEOLYTIC PROCESSING FOR THE TREATMENT AND/OR REDUCTION OF INFLAMMATION THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HO (IE) 2020-12-10 US disclosed
EP-3193906-B1 USE OF PEPTIDE INHIBITORS OF IL-36 PROTEOLYTIC PROCESSING FOR THE TREATMENT AND/OR REDUCTION OF INFLAMMATION THE PROVOST FELLOWS FOUND SCHOLARS & THE OTHER MEMBERS OF BOARD OF THE COLLEGE OF HOLY AND UNDIV TRI (IE) 2020-11-11 EP disclosed
US-10744179-B2 Method for treatment of inflammatory skin disorders with inhibitors of IL-36 proteolytic processing The Provost, Fellows, Foundation Scholars, & the Other Members of Board, of The College of the Holy (IE) 2020-08-18 US disclosed
WO-2005049028-A1 USE OF CATHEPSIN K INHIBITORS IN SEVERE BONE LOSS DISEASES NOVARTIS AG (CH) 2005-06-02 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-20070135448-A1 Use of cathepsin k inhibitors for treating of severe bone loss diseases CTSK, CTSB, CTSZ CTSB 2/4885CTSL 10/4885CTSS 8/4885
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

“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.