SCHEMBL16034147

SCHEMBL16034147

CC(C)(C)OC(=O)N1CC2CCC1(C(=O)O)CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HSD11B1 P28845 1/20 0.37
NR1H2 P55055 1/20 0.35
HPGD P15428 1/20 0.34
EPHX2 P34913 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RECQL P46063 1/20 0.33
EPHX1 P07099 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RORC P51449 1/20 0.32
MEN1 O00255 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
SCHEMBL16064855 0.91 HSD11B1 (0.40) CHRM2CHRM1CHRM3HSD11B1NR1H2
SCHEMBL16090816 0.91 HSD11B1 (0.40) CHRM2CHRM1CHRM3HSD11B1NR1H2
SCHEMBL19674210 0.91 HSD11B1 (0.40) CHRM2CHRM1CHRM3HSD11B1NR1H2
SCHEMBL21013781 0.91 HSD11B1 (0.40) CHRM2CHRM1CHRM3HSD11B1NR1H2
SCHEMBL16064983 0.91 HSD11B1 (0.40) CHRM2CHRM1CHRM3HSD11B1NR1H2
SCHEMBL18643676 0.86 GRIN2B (0.37) CHRM2CHRM1CHRM3HSD11B1NR1H2
SCHEMBL14343401 0.84 HSD11B1 (0.43) CHRM2CHRM1CHRM3HSD11B1NR1H2
SCHEMBL18116222 0.84 HSD11B1 (0.43) CHRM2CHRM1CHRM3HSD11B1NR1H2
SCHEMBL16064930 0.82 HSD11B1 (0.39) CHRM2CHRM1CHRM3HSD11B1NR1H2
SCHEMBL21013698 0.82 HSD11B1 (0.39) CHRM2CHRM1CHRM3HSD11B1NR1H2

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117730079-A Heterocyclyl-substituted polyheterazoles derivatives as medicaments for the treatment and/or prophylaxis of RSV infections 亚博思生物科技(第一)有限公司 2024-03-19 CN disclosed
US-RE47636-E1 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-08 US disclosed
US-RE47636-E1 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2019-10-08 US disclosed
EP-3191487-B1 SPIROCYCLIC INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2019-08-07 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
EP-3511331-A1 SPIROCYCLIC INHIBITORS OF CATHEPSIN C Boehringer Ingelheim International GmbH (DE) 2019-07-17 EP disclosed
EP-2970230-B1 SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2019-05-22 EP disclosed
EP-2970230-B1 SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2019-05-22 EP disclosed
US-9879026-B2 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-30 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
US-20160031861-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-02-04 US disclosed
US-8889708-B2 Substituted bicyclic 1-carboxylic-acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8889708-B2 Substituted bicyclic 1-carboxylic-acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
US-8889708-B2 Substituted bicyclic 1-carboxylic-acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-18 US disclosed
WO-2014140081-A1 SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 WO disclosed
US-20140275155-A1 SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 US disclosed
US-20140275155-A1 SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 US disclosed
US-20140275155-A1 SUBSTITUTED BICYCLIC 1-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 (3 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-20160075704-A1 NOVEL SUBSTITUTED SPIROCYCLES CTSC, CTSE, CTSS CHRM2 3461/4885CHRM1 3430/4885CHRM3 2088/4885
US-20140275155-A1 SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CPN1, CPA1 CHRM2 2127/4885CHRM1 955/4885CHRM3 985/4885
US-20160031861-A1 SUBSTITUTED OXETANES AND THEIR USE AS INHIBITORS OF CATHEPSIN C CTSE, CTSC, CTSZ CHRM2 3607/4885CHRM1 2713/4885CHRM3 2101/4885

“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.