SCHEMBL6771044

SCHEMBL6771044

CC(CC(N)=O)CC(=O)N[C@H]1CCCN(CCc2cccc(-c3ccccn3)c2)CC1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSK P43235 11/20 0.44
CTSL P07711 6/20 0.44
CTSS P25774 6/20 0.44
CTSB P07858 4/20 0.44
PDE2A O00408 1/20 0.38
CTSV O60911 1/20 0.37
F2 P00734 1/20 0.35
F10 P00742 1/20 0.35
HCRTR1 O43613 3/20 0.35
HCRTR2 O43614 3/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
MCHR1 Q99705 1/20 0.34
AVPR1B P47901 1/20 0.34

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
SCHEMBL6771052 1.00 CTSK (0.44) CTSKCTSLCTSSCTSBPDE2A
SCHEMBL7565521 0.85 SIGMAR1 (0.43) CTSKCTSLCTSS
SCHEMBL7565531 0.85 SIGMAR1 (0.43) CTSKCTSLCTSS
SCHEMBL4841725 0.84 CTSK (0.52) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4841704 0.84 CTSK (0.43) CTSKCTSLCTSSCTSBPDE2A
SCHEMBL7428878 0.74 CTSK (0.53) CTSKCTSLCTSSCTSBPDE2A
SCHEMBL5096700 0.74 CTSK (0.41) CTSKCTSLCTSSCTSBPDE2A
SCHEMBL4924362 0.73 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL7633224 0.73 CTSK (0.56) CTSKCTSLCTSSCTSBCTSV
SCHEMBL6592566 0.73 CTSK (0.36) CTSKCTSLCTSSCTSBCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040002487-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2004-01-01 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-20040002487-A1 Protease inhibitors CTSK, MMP13, CTSZ CTSK 1/4885CTSL 25/4885CTSS 10/4885

“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.