SCHEMBL6364259

SCHEMBL6364259

CC(C)C[C@H](N)C(=O)N(CC#N)[C@@H](c1ccccc1-c1ccc(C(=O)c2ccccc2)cc1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 15/20 0.42
CTSS P25774 13/20 0.42
CTSK P43235 12/20 0.42
CTSB P07858 12/20 0.39
NPSR1 Q6W5P4 1/20 0.32
GPR88 Q9GZN0 1/20 0.32

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
SCHEMBL2156402 0.88 CTSL (0.48) CTSLCTSSCTSKCTSB
SCHEMBL2156596 0.87 CTSL (0.51) CTSLCTSSCTSKCTSBNPSR1
SCHEMBL2156545 0.81 CTSL (0.50) CTSLCTSSCTSKCTSB
SCHEMBL2156630 0.81 CTSL (0.50) CTSLCTSSCTSKCTSB
SCHEMBL6364137 0.81 CTSL (0.37) CTSLCTSSCTSKCTSB
SCHEMBL5672363 0.78 CTSL (0.39) CTSLCTSSCTSKCTSB
SCHEMBL2157314 0.77 CTSL (0.39) CTSLCTSSCTSKCTSB
SCHEMBL2156663 0.75 CTSL (0.46) CTSLCTSSCTSKCTSB
SCHEMBL2156748 0.74 CTSL (0.42) CTSLCTSSCTSKCTSB
SCHEMBL2155658 0.74 CTSL (0.49) CTSLCTSSCTSKCTSBGPR88

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-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders MERCK CANADA INC. (CA) 2005-10-27 US claimed

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-20050240023-A1 N1-(1-cyanocyclopropyl)-4-fluoro-N2-{(1S)-2,2,2-trifluoro-1-[4'-(methylsulfonyl)-1,1'-biphenyl-4-yl]ethyl}-L-leucinamide; osteoporosis and other bone loss disorders CTSE, CTSS, CTSB CTSL 7/4885CTSS 2/4885CTSK 4/4885

“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.