SCHEMBL15084102

SCHEMBL15084102

C[C@@H]1CC[C@H](C)N[C@@H]1C(=O)N[C@H](C#N)Cc1ccc(-n2cc(C(C)(C)O)nn2)cc1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.74
▸ CTSK P43235 1/20 0.45

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
SCHEMBL15084138 0.86 CTSC (0.72) CTSCCTSK
SCHEMBL16622360 0.85 CTSC (1.00) CTSC
SCHEMBL19187233 0.85 CTSC (1.00) CTSC
SCHEMBL15084035 0.85 CTSC (0.74) CTSCCTSK
SCHEMBL15084137 0.82 CTSC (0.76) CTSCCTSK
SCHEMBL15084130 0.80 CTSC (0.77) CTSCCTSK
SCHEMBL15083963 0.79 CTSC (0.77) CTSCCTSK
SCHEMBL15084116 0.79 CTSC (0.66) CTSCCTSK
SCHEMBL15084093 0.78 CTSC (0.66) CTSCCTSK
SCHEMBL14821857 0.77 CTSC (0.71) 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 13/4885

“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.

Send feedback