SCHEMBL16064115

SCHEMBL16064115

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1F)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 3/20 0.42
▸ DPP4 P27487 1/20 0.40
▸ USP30 Q70CQ3 2/20 0.37
▸ HTRA1 Q92743 1/20 0.36
▸ AAK1 Q2M2I8 5/20 0.36
▸ XIAP P98170 1/20 0.35
▸ P2RX7 Q99572 1/20 0.34
▸ GPR119 Q8TDV5 2/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ ELANE P08246 1/20 0.33

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
SCHEMBL18643728 1.00 PREP (0.42) PREPDPP4USP30HTRA1AAK1
SCHEMBL22642842 0.93 PREP (0.40) PREPDPP4USP30HTRA1AAK1
SCHEMBL16078799 0.93 PREP (0.40) PREPDPP4USP30HTRA1AAK1
SCHEMBL26079728 0.90 PREP (0.43) PREPDPP4USP30HTRA1AAK1
SCHEMBL22643283 0.89 PREP (0.41) PREPDPP4HTRA1XIAPGPR119
SCHEMBL16064424 0.89 PREP (0.41) PREPDPP4HTRA1XIAPGPR119
SCHEMBL21233243 0.88 PREP (0.43) PREPDPP4USP30AAK1P2RX7
SCHEMBL15081660 0.86 PREP (0.44) PREPHTRA1P2RX7CHRM2CHRM1
SCHEMBL22642902 0.86 CTSC (0.46) —
SCHEMBL16064313 0.86 CTSC (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2023-10-05 — — US disclosed
EP-2970283-B1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2020-11-11 — — EP disclosed
EP-3191487-B1 SPIROCYCLIC INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2019-08-07 — — EP disclosed
EP-3511331-A1 SPIROCYCLIC INHIBITORS OF CATHEPSIN C Boehringer Ingelheim International GmbH (DE) 2019-07-17 — — EP disclosed
US-20170266160-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2017-09-21 — — US disclosed
US-9713606-B2 Methods for treating pulmonary emphysema using substituted 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-07-25 — — US disclosed
US-20170073352-A1 NOVEL SUBSTITUTED SPIROCYCLES BOEHRINGER INGELHEIM INT (DE) 2017-03-16 — — US disclosed
US-9540373-B2 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-10 — — US disclosed
US-9540373-B2 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-10 — — US disclosed
US-9440960-B2 Substituted oxetanes and their use as inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-09-13 — — US disclosed
US-20160081982-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2016-03-24 — — US disclosed
US-20160075704-A1 NOVEL SUBSTITUTED SPIROCYCLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-17 — — US disclosed
US-20160031861-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-04 — — US disclosed
WO-2016016242-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-04 — — WO disclosed
US-20150105375-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2015-04-16 — — US disclosed
US-8987249-B2 Substituted 2-Aza-bicyclo[2.2.1]heptane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of Cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-03-24 — — US disclosed
WO-2014140075-A1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 — — WO disclosed
US-20140275025-A1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-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 (8 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-20160081982-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSG, CTSZ PREP 25/4885DPP4 41/4885USP30 1196/4885
US-20150105375-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSG, CTSZ PREP 25/4885DPP4 41/4885USP30 1196/4885
US-20140275025-A1 SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSB, CTSG PREP 39/4885DPP4 38/4885USP30 2464/4885
US-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSG, CTSZ PREP 25/4885DPP4 41/4885USP30 1196/4885
US-20160075704-A1 NOVEL SUBSTITUTED SPIROCYCLES CTSC, CTSE, CTSS PREP 19/4885DPP4 27/4885USP30 3237/4885
US-20170266160-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSG, CTSZ PREP 25/4885DPP4 41/4885USP30 1196/4885
US-20160031861-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C CTSE, CTSC, CTSZ PREP 14/4885DPP4 62/4885USP30 1803/4885
US-20170073352-A1 NOVEL SUBSTITUTED SPIROCYCLES CTSC, CTSE, CTSS PREP 19/4885DPP4 27/4885USP30 3237/4885

“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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