SCHEMBL6062906

SCHEMBL6062906

CCN1CCN(C(=O)O[C@@H](CC2CCCCC2)C(=O)N(C)C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
CTSK P43235 13/20 0.43
CTSL P07711 7/20 0.42
CTSB P07858 7/20 0.42
CTSH P09668 5/20 0.41
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
APP P05067 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
SNCA P37840 1/20 0.36
CSNK1A1 P48729 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CTSS P25774 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
SCHEMBL6653241 0.90 CTSK (0.46) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6694050 0.90 CTSK (0.49) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6696441 0.90 CTSK (0.46) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6632644 0.85 CTSS (0.47) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6062499 0.85 CTSS (0.47) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6062910 0.81 CTSK (0.48) HSD11B1CTSKCTSLCTSBCTSH
SCHEMBL6062905 0.81 CTSK (0.48) HSD11B1CTSKCTSLCTSBCTSH
SCHEMBL6061604 0.76 CTSK (0.50) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6061600 0.76 CTSK (0.50) CTSKCTSLCTSBCTSHCTSS
SCHEMBL6063838 0.75 CTSS (0.44) CTSKCTSLCTSBCTSHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
EP-1694357-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2006-08-30 EP disclosed
WO-2005058348-A1 USE OF CATHEPSIN S INHIBITORS FOR TREATING AN IMMUNE RESPONSE CAUSED BY ADMINISTRATION OF A SMALL MOLECULE THERAPEUTIC OR BIOLOGIC AXYS PHARMACEUTICALS, INC. (US) 2005-06-30 WO disclosed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE HSD11B1 3874/4885CTSK 8/4885CTSL 11/4885

“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.