SCHEMBL8306549

SCHEMBL8306549

CC(C)(C)CCn1c(Cc2ccc(Cl)cc2)cc2cnc(C#N)nc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSS P25774 20/20 1.00
CTSL P07711 9/20 1.00
CTSK P43235 9/20 0.88

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
SCHEMBL5260512 0.89 CTSS (0.81) CTSSCTSLCTSK
SCHEMBL4952069 0.89 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5260375 0.84 CTSS (0.90) CTSSCTSLCTSK
SCHEMBL4952011 0.84 CTSS (0.82) CTSSCTSLCTSK
SCHEMBL5257836 0.82 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5262550 0.82 CTSS (0.69) CTSSCTSLCTSK
SCHEMBL5262717 0.82 CTSS (1.00) CTSSCTSLCTSK
SCHEMBL5262713 0.82 CTSS (0.84) CTSSCTSLCTSK
SCHEMBL5260821 0.81 CTSS (0.67) CTSSCTSLCTSK
SCHEMBL4269451 0.81 CTSS (0.67) CTSSCTSLCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037835-A1 Pharmaceutical composition comprising a cathepsin s inhibitor and an opioid NOVARTIS AG (CH) 2007-02-15 US disclosed
US-20070037835-A1 Pharmaceutical composition comprising a cathepsin s inhibitor and an opioid NOVARTIS AG (CH) 2007-02-15 US disclosed
WO-2004096227-A1 PHARMACEUTICAL COMPOSITON COMPRISING A CATHEPSIN S INHIBITOR AND AN OPIOID NOVARTIS AG (CH) 2004-11-11 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-20070037835-A1 Pharmaceutical composition comprising a cathepsin s inhibitor and an opioid CTSS, CTSB, CTSG CTSS 1/4885CTSL 10/4885CTSK 6/4885

“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.