SCHEMBL4991292

SCHEMBL4991292

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(C4CCCCC4C(=O)NCC#N)c3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.58
CTSS P25774 12/20 0.58
CTSB P07858 12/20 0.51
CTSL P07711 3/20 0.43
TGFBR1 P36897 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
GPR119 Q8TDV5 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
SCHEMBL5685692 1.00 CTSK (0.58) CTSKCTSSCTSBCTSLTGFBR1
SCHEMBL1375968 0.88 CTSK (0.59) CTSKCTSSCTSBCTSL
SCHEMBL4989195 0.84 CTSB (0.54) CTSKCTSSCTSBCTSL
SCHEMBL4701312 0.82 CTSK (0.58) CTSKCTSSCTSBCTSLTGFBR1
SCHEMBL6207942 0.82 CTSK (0.58) CTSKCTSSCTSBCTSLTGFBR1
SCHEMBL4698976 0.81 CTSK (0.56) CTSKCTSSCTSBCTSLPTPN2
SCHEMBL4612749 0.80 CTSK (0.53) CTSKCTSSCTSBCTSLPTPN2
SCHEMBL4612755 0.80 CTSK (0.58) CTSKCTSSCTSBCTSL
SCHEMBL4612752 0.80 CTSK (0.58) CTSKCTSSCTSBCTSL
SCHEMBL4698794 0.79 CTSK (0.53) CTSKCTSSCTSBPTPN2PTPN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644326-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK CANADA INC (CA) 2016-11-02 EP claimed
US-7405229-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-07-29 US claimed
US-20070167635-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2007-07-19 US claimed
EP-1644326-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK CANADA INC (CA) 2016-11-02 EP disclosed
US-7405229-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-07-29 US disclosed
US-20070167635-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2007-07-19 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 (1 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-20070167635-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSK CTSK 3/4885CTSS 2/4885CTSB 1/4885

“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.