SCHEMBL4715580

SCHEMBL4715580

CC(C)CC(C(=O)N(C)C#N)c1cccc(-c2ccc(C(=O)N(C)C3CCN(C)C3)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.48
MCHR1 Q99705 7/20 0.48
CTSS P25774 12/20 0.46
CTSK P43235 12/20 0.46
CTSL P07711 10/20 0.46
CTSB P07858 10/20 0.46

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
SCHEMBL4715578 0.87 CTSK (0.63) CTSSCTSKCTSLCTSB
SCHEMBL4716709 0.79 CTSK (0.57) CTSSCTSKCTSLCTSB
SCHEMBL4717285 0.78 CTSK (0.51) CTSSCTSKCTSLCTSB
SCHEMBL4713290 0.75 CTSK (0.65) CTSSCTSKCTSLCTSB
SCHEMBL4716585 0.74 CTSK (0.54) CTSSCTSKCTSLCTSB
SCHEMBL4717337 0.73 CTSK (0.52) USP30CTSSCTSKCTSLCTSB
SCHEMBL6218439 0.73 CTSK (0.55) CTSSCTSKCTSLCTSB
SCHEMBL4711735 0.73 CTSK (0.63) CTSSCTSKCTSLCTSB
SCHEMBL6217523 0.71 CTSK (0.56) CTSSCTSKCTSLCTSB
SCHEMBL4715916 0.71 CTSK (0.55) USP30CTSSCTSKCTSLCTSB

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-1248612-B1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP claimed
US-6525036-B2 Treating post-menopausal osteoporosis. MERCK & CO., INC. 2003-02-25 US claimed
US-20020052378-A1 Novel compounds and compositions as protease inhibitors Celera Corporation 2002-05-02 US claimed
EP-1248612-B1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP disclosed
US-6525036-B2 Treating post-menopausal osteoporosis. MERCK & CO., INC. 2003-02-25 US disclosed
US-20020052378-A1 Novel compounds and compositions as protease inhibitors Celera Corporation 2002-05-02 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-20020052378-A1 Novel compounds and compositions as protease inhibitors SERPINB1, CTRL, SPINT2 USP30 446/4885MCHR1 4776/4885CTSS 27/4885

“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.