SCHEMBL6750600

SCHEMBL6750600

CS(=O)(=O)CC[C@@H](C#N)NC(=O)[C@@H]1CCCC[C@@H]1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSC P53634 12/20 0.39
KCNH2 Q12809 2/20 0.39
CTSK P43235 4/20 0.34
CTSB P07858 3/20 0.34
CTSS P25774 3/20 0.34
EPHX1 P07099 1/20 0.33
GRM4 Q14833 1/20 0.33
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 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
SCHEMBL6750606 0.88 CTSC (0.51) CTSCKCNH2CTSKCTSBCTSS
SCHEMBL6753554 0.82 CTSC (0.41) CTSCKCNH2CTSKCTSBCTSS
SCHEMBL6753531 0.81 CTSK (0.40) CTSCKCNH2CTSKCTSBCTSS
SCHEMBL6753190 0.81 LMNA (0.40) CTSCKCNH2CTSKCTSBCTSS
SCHEMBL6755407 0.81 CTSC (0.41) CTSCKCNH2CTSKCTSBCTSS
SCHEMBL6750514 0.80 CTSC (0.39) CTSCKCNH2CTSKCTSBCTSS
SCHEMBL5255995 0.79 CTSC (0.41) CTSCKCNH2CTSKCTSBCTSS
SCHEMBL6840907 0.79 CTSC (0.41) CTSCKCNH2CTSKCTSBCTSS
SCHEMBL6755447 0.79 CTSC (0.41) CTSCKCNH2CTSKCTSBCTSS
SCHEMBL6754231 0.79 CTSC (0.41) CTSCKCNH2CTSKCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6759428-B2 SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS ROCHE PALO ALTO LLC 2004-07-06 US claimed
US-20040077646-A1 Indole nitriles ROCHE PALO ALTO LLC 2004-04-22 US claimed
US-6759428-B2 SUCH AS N-((1,2)-2-(((CYANO(CYCLOPROPYL)METHYL)AMINO)CARBONYL) CYCLOHEXYL)-1H-INDOLE-2-CARBOXAMIDE; CATHEPSIN K INHIBITORS ROCHE PALO ALTO LLC 2004-07-06 US disclosed
US-20040077646-A1 Indole nitriles ROCHE PALO ALTO LLC 2004-04-22 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-20040077646-A1 Indole nitriles TPH1, IDO1, NAT1 CTSC 66/4885KCNH2 1680/4885CTSK 5/4885

“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.