SCHEMBL5872529

SCHEMBL5872529

CC(C)C[C@@H](C(N)=O)N(CC#N)c1nn(C)cc1-c1ccc(N2CCNCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.47
CTSS P25774 9/20 0.47
CTSB P07858 9/20 0.47
CTSK P43235 8/20 0.47
ACVR1 Q04771 6/20 0.39
RET P07949 1/20 0.36
TGFBR1 P36897 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
SCHEMBL4703666 1.00 CTSL (0.47) CTSLCTSSCTSBCTSKACVR1
SCHEMBL4704327 0.86 CTSL (0.51) CTSLCTSSCTSBCTSKACVR1
SCHEMBL4698649 0.85 CTSL (0.48) CTSLCTSSCTSBCTSKACVR1
SCHEMBL4703396 0.85 CTSS (0.47) CTSSCTSKRET
SCHEMBL4701851 0.84 CTSL (0.49) CTSLCTSSCTSBCTSKACVR1
SCHEMBL4699478 0.82 CTSL (0.45) CTSLCTSSCTSBCTSKACVR1
SCHEMBL4698971 0.81 CTSL (0.49) CTSLCTSSCTSBCTSKACVR1
SCHEMBL4698928 0.81 CTSL (0.43) CTSLCTSSCTSBCTSKACVR1
SCHEMBL4703327 0.78 CTSL (0.46) CTSLCTSSCTSBCTSKACVR1
SCHEMBL4703250 0.78 CTSL (0.46) CTSLCTSSCTSBCTSKACVR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CTSL 8/4885CTSS 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.