SCHEMBL4702138

SCHEMBL4702138

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3cc(F)cc(N4CCCCC4C(=O)NCC#N)c3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 9/20 0.51
CTSS P25774 7/20 0.51
CTSB P07858 6/20 0.51
GPR119 Q8TDV5 4/20 0.40
ALOX5 P09917 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN6 P29350 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 0.91 CTSK (0.53) CTSKCTSSCTSBGPR119ALOX5
SCHEMBL6207942 0.89 CTSK (0.58) CTSKCTSSCTSBGPR119PTPN2
SCHEMBL4701312 0.89 CTSK (0.58) CTSKCTSSCTSBGPR119PTPN2
SCHEMBL4701682 0.88 CTSK (0.50) CTSKCTSSCTSBGPR119ALOX5
SCHEMBL4699551 0.88 CTSK (0.49) CTSKCTSSCTSBGPR119ALOX5
SCHEMBL4698976 0.87 CTSK (0.56) CTSKCTSSCTSBGPR119PTPN2
SCHEMBL4701671 0.85 CTSK (0.50) CTSKCTSSCTSB
SCHEMBL4701984 0.83 CTSK (0.49) CTSKCTSSCTSBGPR119ALOX5
SCHEMBL4701983 0.83 CTSK (0.49) CTSKCTSSCTSBGPR119ALOX5
SCHEMBL4700521 0.81 CTSK (0.49) CTSKCTSSCTSBGPR119ALOX5

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