SCHEMBL4700521

SCHEMBL4700521

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cccc(N4CCCCC4C(=O)NCC#N)n3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.49
CTSS P25774 7/20 0.49
CTSB P07858 6/20 0.43
ALOX5 P09917 1/20 0.42
JAK2 O60674 3/20 0.40
JAK3 P52333 2/20 0.40
GPR119 Q8TDV5 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2C19 P33261 1/20 0.39
TGFBR1 P36897 1/20 0.39
ATR Q13535 1/20 0.39
PTK2 Q05397 1/20 0.39
HDAC1 Q13547 1/20 0.39
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL4698794 0.87 CTSK (0.53) CTSKCTSSCTSBALOX5GPR119
SCHEMBL4701312 0.85 CTSK (0.58) CTSKCTSSCTSBGPR119TGFBR1
SCHEMBL6207942 0.85 CTSK (0.58) CTSKCTSSCTSBGPR119TGFBR1
SCHEMBL4703780 0.85 CTSK (0.44) CTSKCTSSCTSBJAK2JAK3
SCHEMBL4701983 0.83 CTSK (0.49) CTSKCTSSCTSBALOX5GPR119
SCHEMBL4698976 0.83 CTSK (0.56) CTSKCTSSCTSBGPR119
SCHEMBL4701984 0.83 CTSK (0.49) CTSKCTSSCTSBALOX5GPR119
SCHEMBL4701682 0.83 CTSK (0.50) CTSKCTSSCTSBALOX5GPR119
SCHEMBL4702138 0.81 CTSK (0.51) CTSKCTSSCTSBALOX5GPR119
SCHEMBL4699551 0.81 CTSK (0.49) CTSKCTSSCTSBALOX5GPR119

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 12 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 claimed
US-7012075-B2 Cathepsin cysteine protease inhibitors MERCK & CO., INC. (US) 2006-03-14 US claimed
EP-1372655-A4 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC (CA) 2005-10-12 EP claimed
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US claimed
EP-1372655-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS Merck Frosst Canada & Co. (CA) 2004-01-02 EP claimed
WO-2002069901-A2 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2002-09-12 WO claimed
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.