SCHEMBL4698794

SCHEMBL4698794

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(N4CCCCC4C(=O)NCC#N)cc3)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.53
CTSS P25774 7/20 0.53
CTSB P07858 6/20 0.52
GPR119 Q8TDV5 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
ALOX5 P09917 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL4701312 0.93 CTSK (0.58) CTSKCTSSCTSBGPR119PTPN2
SCHEMBL6207942 0.93 CTSK (0.58) CTSKCTSSCTSBGPR119PTPN2
SCHEMBL4698976 0.93 CTSK (0.56) CTSKCTSSCTSBGPR119PTPN2
SCHEMBL4701682 0.92 CTSK (0.50) CTSKCTSSCTSBGPR119SMN1; SMN2
SCHEMBL4702138 0.91 CTSK (0.51) CTSKCTSSCTSBGPR119SMN1; SMN2
SCHEMBL4699551 0.89 CTSK (0.49) CTSKCTSSCTSBGPR119SMN1; SMN2
SCHEMBL4701983 0.89 CTSK (0.49) CTSKCTSSCTSBGPR119SMN1; SMN2
SCHEMBL4701984 0.89 CTSK (0.49) CTSKCTSSCTSBGPR119SMN1; SMN2
SCHEMBL4700521 0.87 CTSK (0.49) CTSKCTSSCTSBGPR119SMN1; SMN2
SCHEMBL4702085 0.82 CTSK (0.52) CTSKCTSSCTSB

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 9 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
US-20040198982-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2004-10-07 US 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.