SCHEMBL7070917

SCHEMBL7070917

CN1CCC(C#N)(NC(=O)[CH]CCCC(N)=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 9/20 0.38
CTSB P07858 4/20 0.38
CTSK P43235 3/20 0.38
CTSL P07711 2/20 0.36
ALDH1A1 P00352 1/20 0.31
CNR1 P21554 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
SCHEMBL4834545 0.82 CTSS (0.41) CTSSCTSBCTSKCTSL
SCHEMBL4245817 0.81 CTSS (0.40) CTSSCTSBCTSKCTSL
SCHEMBL5368719 0.79 CTSS (0.42) CTSSCTSBCTSKCTSLALDH1A1
SCHEMBL7074903 0.79 CTSS (0.39) CTSSCTSBCTSKCTSLALDH1A1
SCHEMBL4250968 0.78 CTSS (0.43) CTSSCTSBCTSKCTSL
SCHEMBL4250590 0.75 CTSS (0.50) CTSSCTSBCTSKCTSL
SCHEMBL7076584 0.73 CTSS (0.38) CTSSCTSL
SCHEMBL7078160 0.72 CTSS (0.38) CTSSCTSL
SCHEMBL7075629 0.72 CTSS (0.37) CTSSCTSLALDH1A1
SCHEMBL4838364 0.72 CTSS (0.35) CTSSCTSBCTSK

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 1/4885CTSB 3/4885CTSK 2/4885
US-20030225270-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSS 1/4885CTSB 3/4885CTSK 2/4885
US-20030225271-A1 Compounds useful as reversible inhibitors of cysteine proteases CTSS, CTSK, CTSB CTSS 1/4885CTSB 3/4885CTSK 2/4885

“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.