SCHEMBL4577313

SCHEMBL4577313

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 8/20 0.54
CTSB P07858 7/20 0.54
CTSS P25774 7/20 0.54
CTSK P43235 4/20 0.54
CTSD P07339 1/20 0.54
MAPT P10636 4/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC11 Q96DB2 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC9 Q9UKV0 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48

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
SCHEMBL4577119 0.88 CTSB (0.60) CTSLCTSBCTSSCTSKCTSD
SCHEMBL4576260 0.86 CTSB (0.72) CTSLCTSBCTSSCTSKCTSD
SCHEMBL4576702 0.85 CTSB (0.68) CTSLCTSBCTSSCTSKCTSD
SCHEMBL4577320 0.84 CTSB (0.75) CTSLCTSBCTSSCTSKCTSD
SCHEMBL4576791 0.84 CTSB (0.59) CTSLCTSBCTSSCTSKCTSD
Maleic Acid SCHEMBL5565097 0.83 CTSB (0.65) CTSLCTSBCTSSCTSKCTSD
SCHEMBL6185943 0.83 CTSB (0.68) CTSLCTSBCTSSCTSKCTSD
SCHEMBL4576517 0.82 CTSB (0.54) CTSLCTSBCTSSCTSKCTSD
SCHEMBL4576241 0.82 CTSB (0.65) CTSLCTSBCTSSCTSKCTSD
SCHEMBL4653320 0.78 CTSB (0.46) CTSLCTSBCTSSCTSKCTSD

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 13 patents. 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
US-20030203919-A1 Dipeptide nitrile cathepsin K inhibitors MISSBACH MARTIN (CH) 2003-10-30 US claimed
US-20010016207-A1 Dipeptide nitrile cathepsin K inhibitors NOVARTIS AG (CH) 2001-08-23 US claimed
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
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
US-20050267129-A1 Dipeptide nitrile cathepsin K inhibitors NORVARTIS AG (CH) 2005-12-01 US 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
US-20010016207-A1 Dipeptide nitrile cathepsin K inhibitors NOVARTIS AG (CH) 2001-08-23 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 (7 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-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.