SCHEMBL15081647

SCHEMBL15081647

CN1CCC(c2ccc(C[C@H](NC(=O)[C@@H]3[C@H]4CC[C@H](C4)N3C(=O)OC(C)(C)C)C(N)=O)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 4/20 0.42
▸ PREP P48147 3/20 0.42
▸ HTRA1 Q92743 2/20 0.39
▸ MAPK1 P28482 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ CACNA1B Q00975 2/20 0.36
▸ CCKBR P32239 1/20 0.34
▸ HSD11B1 P28845 1/20 0.34
▸ YAP1 P46937 1/20 0.34

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
SCHEMBL16622350 0.92 CTSC (0.43) CTSCPREPHTRA1MAPK1NAMPT
SCHEMBL15081676 0.92 HTRA1 (0.44) CTSCPREPHTRA1MAPK1JAK1
SCHEMBL16622374 0.91 CTSC (0.44) CTSCPREPHTRA1MAPK1HSD11B1
SCHEMBL16622345 0.91 CTSC (0.44) CTSCPREPHTRA1MAPK1CCKBR
SCHEMBL16622347 0.91 CTSC (0.45) CTSCPREPHTRA1MAPK1NAMPT
SCHEMBL16622375 0.91 CTSC (0.45) CTSCPREPHTRA1MAPK1NAMPT
SCHEMBL16622332 0.91 CTSC (0.45) CTSCPREPHTRA1MAPK1NAMPT
SCHEMBL16622346 0.90 PREP (0.40) CTSCPREPHTRA1MAPK1JAK1
SCHEMBL15081645 0.90 PREP (0.40) CTSCPREPHTRA1MAPK1CCKBR
SCHEMBL14822367 0.90 CTSC (0.45) CTSCPREPHTRA1MAPK1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8999975-B2 Substituted N- [1-cyano-2- (phenyl) ethyl] -2-azabicyclo [2.2.1] heptane-3-carboxamide inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 — — US disclosed
US-8999975-B2 Substituted N- [1-cyano-2- (phenyl) ethyl] -2-azabicyclo [2.2.1] heptane-3-carboxamide inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-07 — — US disclosed
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 9/4885PREP 37/4885HTRA1 577/4885

“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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