SCHEMBL15084015

SCHEMBL15084015

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(c2)C(=O)N(C)C3)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 19/20 0.58
▸ CTSK P43235 7/20 0.54
▸ SDCBP O00560 1/20 0.40
▸ SDC2 P34741 1/20 0.40

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
SCHEMBL19187291 0.87 CTSC (0.63) CTSCCTSK
SCHEMBL15081672 0.87 CTSC (0.63) CTSCCTSK
SCHEMBL15083917 0.85 CTSC (0.60) CTSCCTSK
SCHEMBL15084029 0.85 CTSC (0.58) CTSCCTSK
SCHEMBL15083922 0.84 CTSC (0.58) CTSCCTSK
SCHEMBL15083920 0.83 CTSC (0.60) CTSCCTSK
SCHEMBL15084033 0.83 CTSC (0.59) CTSCCTSK
SCHEMBL15084135 0.82 CTSC (0.57) CTSCCTSK
SCHEMBL15084018 0.82 CTSC (0.55) CTSCCTSK
SCHEMBL15084085 0.82 CTSC (0.47) CTSCCTSK

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 9/4885CTSK 13/4885SDCBP 2206/4885

“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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