SCHEMBL4699260

SCHEMBL4699260

CC(C)CC(C(N)=O)N(CC#N)c1nn(C(=O)OC(C)(C)C)cc1-c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
RET P07949 6/20 0.44
GPR119 Q8TDV5 3/20 0.39
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
EGLN2 Q96KS0 1/20 0.36
JAK2 O60674 4/20 0.36
JAK1 P23458 4/20 0.36
ESR2 Q92731 1/20 0.36
ALOX5 P09917 1/20 0.35
ALK Q9UM73 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4703396 0.92 CTSS (0.47) CTSSCTSKRETGPR119ALDH1A1
SCHEMBL4703117 0.84 CTSS (0.47) CTSSCTSKRETGPR119ALDH1A1
SCHEMBL4701886 0.80 CTSS (0.47) CTSSCTSKRETGPR119ALDH1A1
SCHEMBL4704442 0.80 CTSS (0.46) CTSSCTSKRETGPR119ALDH1A1
SCHEMBL4703666 0.77 CTSL (0.47) CTSSCTSKRET
SCHEMBL5872529 0.77 CTSL (0.47) CTSSCTSKRET
SCHEMBL6231297 0.77 CTSS (0.47) CTSSCTSKRETGPR119ALDH1A1
SCHEMBL4703890 0.75 CTSS (0.40) CTSSCTSKALDH1A1MAPTESR2
SCHEMBL4699262 0.75 CTSS (0.60) CTSSCTSKRETALDH1A1MAPT
SCHEMBL6231300 0.74 CTSS (0.47) CTSSCTSKRETALDH1A1MAPT

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 CTSS 2/4885CTSK 4/4885RET 3676/4885

“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.