SCHEMBL4614023

SCHEMBL4614023

N#CCNC(=O)[C@@H]1CCCC[C@H]1CO

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTSK P43235 19/20 0.60
CTSB P07858 4/20 0.60
CTSS P25774 3/20 0.60
CTSL P07711 1/20 0.58

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
SCHEMBL6138257 1.00 CTSK (0.60) CTSKCTSBCTSSCTSL
SCHEMBL4614020 1.00 CTSK (0.60) CTSKCTSBCTSSCTSL
SCHEMBL6138256 1.00 CTSK (0.60) CTSKCTSBCTSSCTSL
SCHEMBL4614025 1.00 CTSK (0.60) CTSKCTSBCTSSCTSL
SCHEMBL4614333 0.97 CTSK (0.56) CTSKCTSBCTSSCTSL
SCHEMBL4614331 0.97 CTSK (0.56) CTSKCTSBCTSSCTSL
SCHEMBL4615302 0.97 CTSK (0.56) CTSKCTSBCTSSCTSL
SCHEMBL4613040 0.85 CTSK (0.59) CTSKCTSBCTSSCTSL
SCHEMBL4613042 0.85 CTSK (0.59) CTSKCTSBCTSSCTSL
SCHEMBL6137192 0.85 CTSK (0.59) CTSKCTSBCTSSCTSL

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-7371747-B2 Cyanoalkylamino derivatives as protease inhibitors MERCK FROSST CANADA & CO. (CA) 2008-05-13 US disclosed
EP-1446115-B1 CYANOALKYLAMINO DERIVATIVES AS PROTEASE INHIBITORS MERCK FROSST CANADA LTD (CA) 2008-02-27 EP disclosed
US-20050014941-A1 Cyanoalkylamino derivatives as protease inhibitors MERCK FROSST CANADA LTD. (CA) 2005-01-20 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-20050014941-A1 Cyanoalkylamino derivatives as protease inhibitors CTSB, CTSK, CTSS CTSK 2/4885CTSB 1/4885CTSS 3/4885

“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.