SCHEMBL16079071

SCHEMBL16079071

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](Cc1ccc(Br)s1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 4/20 0.42
▸ HTRA1 Q92743 1/20 0.38
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ ELANE P08246 1/20 0.33
▸ HSD11B1 P28845 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL16065006 0.93 PREP (0.34) PREPHTRA1ELANEALDH1A1
SCHEMBL18828792 0.91 HTRA1 (0.33) PREPHTRA1
SCHEMBL16065007 0.85 CTSC (0.42) PREP
SCHEMBL15081660 0.85 PREP (0.44) PREPHTRA1CHRM2CHRM1CHRM3
SCHEMBL18828790 0.85 PREP (0.41) PREPHTRA1CHRM2CHRM1CHRM3
SCHEMBL18643728 0.82 PREP (0.42) PREPHTRA1CHRM2CHRM1CHRM3
SCHEMBL22642842 0.82 PREP (0.40) PREPHTRA1CHRM2CHRM1CHRM3
SCHEMBL16078799 0.82 PREP (0.40) PREPHTRA1CHRM2CHRM1CHRM3
SCHEMBL16064115 0.82 PREP (0.42) PREPHTRA1CHRM2CHRM1CHRM3
SCHEMBL15064894 0.81 PREP (0.44) PREPHTRA1CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871783-B2 Substituted 2-aza-bicyclo[2.2.1]heptane-3-carboxylic acid (cyano-methyl)-amides inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-28 — — US disclosed
US-20140275114-A1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 — — 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-20140275114-A1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSB, CTSV PREP 39/4885HTRA1 721/4885CHRM2 1200/4885

“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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