SCHEMBL8740509

SCHEMBL8740509

CC(C)(C)OC(=O)N[C@@H](Cc1ccc2ccccc2c1)C(N)=O

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 6/20 0.69
CTSK P43235 4/20 0.69
CTSB P07858 4/20 0.69
PTPN1 P18031 1/20 0.57
REN P00797 3/20 0.55
FCER2 P06734 2/20 0.53
ACE P12821 1/20 0.51
CTSL P07711 2/20 0.50
MMP9 P14780 2/20 0.49
MC5R P33032 2/20 0.47
MC1R Q01726 2/20 0.47
TACR1 P25103 1/20 0.47
MMP8 P22894 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL7655882 1.00 CTSS (0.69) CTSSCTSKCTSBPTPN1REN
SCHEMBL9331930 1.00 CTSS (0.69) CTSSCTSKCTSBPTPN1REN
SCHEMBL7658151 0.91 CTSS (0.67) CTSSCTSKCTSBPTPN1REN
SCHEMBL29481445 0.89 CTSS (0.74) CTSSCTSKCTSBPTPN1ACE
SCHEMBL1519731 0.89 CTSS (0.74) CTSSCTSKCTSBPTPN1ACE
SCHEMBL3821361 0.89 CTSS (0.74) CTSSCTSKCTSBPTPN1ACE
SCHEMBL29401906 0.89 CTSS (0.74) CTSSCTSKCTSBPTPN1ACE
SCHEMBL29436862 0.89 CTSS (0.74) CTSSCTSKCTSBPTPN1ACE
SCHEMBL29397962 0.89 CTSS (0.74) CTSSCTSKCTSBPTPN1ACE
SCHEMBL1519727 0.89 CTSS (0.74) CTSSCTSKCTSBPTPN1ACE

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 16 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
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
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-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-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
US-5629285-A Inhibitors of TNF-α secretion IMMUNEX CORPORATION (US) 1997-05-13 US disclosed
EP-0715619-A4 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORP (US) 1997-03-19 EP disclosed
US-5594106-A Inhibitors of TNF-α secretion IMMUNEX CORPORATION (US) 1997-01-14 US disclosed
EP-0715619-A1 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORPORATION (US) 1996-06-12 EP disclosed
WO-1995006031-A1 INHIBITORS OF TNF-ALPHA SECRETION IMMUNEX CORPORATION (US) 1995-03-02 WO 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-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 CTSS 7/4885CTSK 21/4885CTSB 4/4885
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 CTSS 7/4885CTSK 21/4885CTSB 4/4885
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 CTSS 7/4885CTSK 21/4885CTSB 4/4885
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 CTSS 7/4885CTSK 21/4885CTSB 4/4885
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 CTSS 4/4885CTSK 13/4885CTSB 2/4885
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 CTSS 7/4885CTSK 21/4885CTSB 4/4885
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 CTSS 7/4885CTSK 21/4885CTSB 4/4885
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 CTSS 7/4885CTSK 21/4885CTSB 4/4885

“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.