SCHEMBL16078820

SCHEMBL16078820

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@@H](Cc1ccc(N2CCC3CNCC32)cc1F)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 14/20 0.39
▸ PREP P48147 1/20 0.38
▸ CTSK P43235 5/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ HTRA1 Q92743 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ XIAP P98170 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
SCHEMBL20384119 1.00 CTSC (0.39) CTSCPREPCTSKDPP4HTRA1
SCHEMBL22643307 0.89 CTSC (0.49) CTSCPREPCTSKDPP4HTRA1
SCHEMBL16064027 0.89 CTSC (0.49) CTSCPREPCTSKDPP4HTRA1
SCHEMBL17483542 0.89 CTSC (0.41) CTSCPREPCTSKDPP4HTRA1
SCHEMBL20384076 0.88 CTSC (0.37) CTSCPREPCTSKDPP4HTRA1
SCHEMBL20384085 0.88 CTSC (0.37) CTSCPREPCTSKDPP4HTRA1
SCHEMBL17485369 0.88 CTSC (0.37) CTSCPREPCTSKDPP4HTRA1
SCHEMBL17483551 0.87 CTSC (0.47) CTSCPREPCTSKHTRA1
SCHEMBL20384042 0.87 CTSC (0.47) CTSCPREPCTSKHTRA1
SCHEMBL20384110 0.86 CTSC (0.38) CTSCPREPCTSKDPP4HTRA1

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 15 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
US-20200138780-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) 2020-05-07 — — US disclosed
US-20190167636-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) 2019-06-06 — — US disclosed
US-10238633-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) 2019-03-26 — — US disclosed
EP-3174879-B1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2018-07-18 — — 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-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
WO-2016016242-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-04 — — WO disclosed
US-20160031861-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-04 — — US 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
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 (9 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-10238633-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 CTSC, CTSG, CTSZ CTSC 1/4885PREP 25/4885CTSK 21/4885
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 CTSC 1/4885PREP 25/4885CTSK 21/4885
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 CTSC 1/4885PREP 25/4885CTSK 21/4885
US-20190167636-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 CTSC 1/4885PREP 25/4885CTSK 21/4885
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 CTSC 1/4885PREP 39/4885CTSK 13/4885
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 CTSC 1/4885PREP 25/4885CTSK 21/4885
US-20200138780-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 CTSC 1/4885PREP 25/4885CTSK 21/4885
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 CTSC 1/4885PREP 25/4885CTSK 21/4885
US-20160031861-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C CTSE, CTSC, CTSZ CTSC 2/4885PREP 14/4885CTSK 10/4885

“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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