SCHEMBL7076453

SCHEMBL7076453

CN1CC(C#N)(NC(=O)[CH]CC2CCCCC2)CN(C(N)=O)C1=O

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
CTSL P07711 1/20 0.31

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
SCHEMBL7078297 0.84 CTSS (0.31) CTSSCTSL
SCHEMBL7074613 0.78 CTSS (0.34) CTSSCTSL
SCHEMBL5367079 0.76 CTSS (0.32) CTSSCTSL
SCHEMBL5362069 0.75 CTSS (0.41) CTSSCTSL
SCHEMBL5361703 0.75 CTSS (0.41) CTSSCTSL
SCHEMBL5363921 0.74 CTSS (0.39) CTSSCTSL
SCHEMBL5375313 0.74 CTSS (0.43) CTSSCTSL
SCHEMBL5367971 0.73 CTSS (0.42) CTSSCTSL
SCHEMBL5365008 0.72 L3MBTL1 (0.40) CTSSCTSL
SCHEMBL5366947 0.72 CTSS (0.36) CTSSCTSL

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-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-12-04 US disclosed
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-12-04 US disclosed
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 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 (3 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-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSS 1/4885OPRM1 4800/4885OPRL1 4071/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSS 1/4885OPRM1 4800/4885OPRL1 4071/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSS 1/4885OPRM1 4800/4885OPRL1 4071/4885

“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.