SCHEMBL4701312

SCHEMBL4701312

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(N4CCCCC4C(=O)NCC#N)c3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 13/20 0.58
CTSS P25774 10/20 0.58
CTSB P07858 10/20 0.49
CTSL P07711 2/20 0.43
GPR119 Q8TDV5 3/20 0.42
TGFBR1 P36897 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 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
SCHEMBL6207942 1.00 CTSK (0.58) CTSKCTSSCTSBCTSLGPR119
SCHEMBL4698976 0.97 CTSK (0.56) CTSKCTSSCTSBCTSLGPR119
SCHEMBL4698794 0.93 CTSK (0.53) CTSKCTSSCTSBGPR119PTPN2
SCHEMBL4701682 0.90 CTSK (0.50) CTSKCTSSCTSBGPR119
SCHEMBL4702138 0.89 CTSK (0.51) CTSKCTSSCTSBGPR119PTPN2
SCHEMBL4699551 0.87 CTSK (0.49) CTSKCTSSCTSBGPR119
SCHEMBL4701984 0.85 CTSK (0.49) CTSKCTSSCTSBGPR119
SCHEMBL4701983 0.85 CTSK (0.49) CTSKCTSSCTSBGPR119
SCHEMBL4700521 0.85 CTSK (0.49) CTSKCTSSCTSBGPR119TGFBR1
SCHEMBL4700127 0.84 CTSK (0.54) CTSKCTSSCTSBCTSL

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-1372655-B1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-10-01 EP disclosed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US disclosed
EP-1372655-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-10-12 EP disclosed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US disclosed
EP-1372655-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-01-02 EP disclosed
WO-2002069901-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-09-12 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 (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-20040198982-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ CTSK 4/4885CTSS 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.