SCHEMBL15084135

SCHEMBL15084135

C[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)[C@@H]1C(=O)N[C@H](C#N)Cc1ccc(-c2ccc3c(ccn3C)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 19/20 0.57
▸ LGMN Q99538 1/20 0.42
▸ CTSK P43235 5/20 0.39
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL15081633 0.87 CTSC (0.62) CTSCLGMN
SCHEMBL15084097 0.83 CTSC (0.55) CTSCCTSKKCNH2
SCHEMBL15084085 0.83 CTSC (0.47) CTSCCTSKKCNH2
SCHEMBL15084018 0.83 CTSC (0.55) CTSCCTSKKCNH2
SCHEMBL15084024 0.83 CTSC (0.48) CTSCCTSKKCNH2
SCHEMBL15084115 0.83 CTSC (0.48) CTSCCTSKKCNH2
SCHEMBL15084106 0.83 CTSC (0.54) CTSCCTSK
SCHEMBL15083917 0.82 CTSC (0.60) CTSCCTSK
SCHEMBL15084015 0.82 CTSC (0.58) CTSCCTSK
SCHEMBL15083999 0.82 CTSK (0.43) CTSCCTSKKCNH2

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-20130172327-A1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL] -2-AZABICYCLO [2.2.1] HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 — — 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-20130172327-A1 SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL] -2-AZABICYCLO [2.2.1] HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C CTSS, CTSB, CTSG CTSC 9/4885LGMN 573/4885CTSK 13/4885

“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.

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