SCHEMBL2156172

SCHEMBL2156172

CC(C)C[C@H](N)C(=O)NCC#N

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.52
CTSK P43235 7/20 0.51
CTSS P25774 6/20 0.51
CTSL P07711 5/20 0.49
CTSB P07858 3/20 0.49
CTSC P53634 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
SCHEMBL2913071 1.00 SLC7A5 (0.52) SLC7A5CTSKCTSSCTSLCTSB
SCHEMBL17152541 0.84 ANPEP (0.44) SLC7A5CTSKCTSSCTSLCTSB
SCHEMBL10572975 0.82 SLC7A5 (0.54) SLC7A5
SCHEMBL10572972 0.82 SLC7A5 (0.54) SLC7A5
Water SCHEMBL25363515 0.81 SLC7A5 (0.52) SLC7A5
SCHEMBL15412847 0.81 SLC7A5 (0.52) SLC7A5CTSS
Water SCHEMBL25363513 0.81 SLC7A5 (0.52) SLC7A5
SCHEMBL19882812 0.79
SCHEMBL13789959 0.79 SLC7A5 (0.54) SLC7A5
SCHEMBL16307349 0.79 SLC7A5 (0.50) SLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2014-09-11 US claimed
US-8772336-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA LTD. (CA) 2014-07-08 US claimed
US-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS AXYS PHARMACEUTICALS, INC. (US) 2013-02-07 US claimed
US-8318748-B2 Cathepsin cysteine protease inhibitors Merck, Sharp & Dohme Corp. (US) 2012-11-27 US claimed
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2011-09-22 US claimed
US-7973037-B2 Cathepsin cysteine protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2011-07-05 US claimed
EP-1841419-A4 CATHEPSIN K INHIBITORS AND OBESITY MERCK FROSST CANADA LTD (CA) 2009-02-25 EP claimed
US-20090005323-A1 Cathepsin K Inhibitors and Obesity MERCK FROSST CANADA LTD. (CA) 2009-01-01 US claimed
US-20080188529-A1 N1-(cyanomethyl)-N2-(2,2,2-trifluoro-1-phenylethyl)-L-leucinamide; antiarthritic agent; osteoporosis and other bone loss disorders MERCK CANADA INC. (CA) 2008-08-07 US claimed
US-20080125442-A1 Cathepsin K Inhibitors and Atherosclerosis MERCK FROSST CANADA LTD. (CA) 2008-05-29 US claimed
EP-1482924-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2006-03-08 EP claimed
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders MERCK CANADA INC. (CA) 2005-10-27 US claimed
EP-1372655-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-10-12 EP claimed
EP-1572667-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS AND THEIR USE AstraZeneca AB (SE) 2005-09-14 EP claimed
EP-1482924-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2004-12-08 EP claimed
WO-2004054987-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS AND THEIR USE ASTRAZENECA AB (SE) 2004-07-01 WO claimed
EP-1372655-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-01-02 EP claimed
US-20030232863-A1 Such as N1-(1-cyanocyclopropyl)-4-fluoro-N2-((1S)-2,2,2-trifluoro-1-(4' -(methylsulfonyl)-1,1'-biphenyl-4-yl) ethyl)-L-leucinamide; for treating osteoporosis and other bone loss disorders BAYLY CHRISTOPHER I (CA) 2003-12-18 US claimed
WO-2003075836-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2003-09-18 WO claimed
WO-2002069901-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-09-12 WO claimed

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-20130035312-A1 CATHEPSIN CYSTEINE PROTEASE INHIBIORS CTSB, CTSS, CTSZ SLC7A5 829/4885CTSK 4/4885CTSS 2/4885
US-20140256743-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ SLC7A5 410/4885CTSK 4/4885CTSS 2/4885
US-20030232863-A1 Such as N1-(1-cyanocyclopropyl)-4-fluoro-N2-((1S)-2,2,2-trifluoro-1-(4' -(methylsulfonyl)-1,1'-biphenyl-4-yl) ethyl)-L-leucinamide; for treating osteoporosis and other bone loss disorders CTSE, CTSB, CTSS SLC7A5 653/4885CTSK 4/4885CTSS 3/4885
US-20080125442-A1 Cathepsin K Inhibitors and Atherosclerosis CTSK, CTSD, CTSS SLC7A5 3143/4885CTSK 1/4885CTSS 3/4885
US-20110230446-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS CTSB, CTSS, CTSZ SLC7A5 410/4885CTSK 4/4885CTSS 2/4885
US-20090005323-A1 Cathepsin K Inhibitors and Obesity CTSK, CTSG, CTSB SLC7A5 2729/4885CTSK 1/4885CTSS 7/4885
US-20080188529-A1 N1-(cyanomethyl)-N2-(2,2,2-trifluoro-1-phenylethyl)-L-leucinamide; antiarthritic agent; osteoporosis and other bone loss disorders CTSE, CTSL, CTSK SLC7A5 685/4885CTSK 3/4885CTSS 6/4885
US-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders CTSE, CTSS, CTSB SLC7A5 566/4885CTSK 4/4885CTSS 2/4885

“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.