SCHEMBL16064976

SCHEMBL16064976

CC(C)(C)OC(=O)N1CC[C@H](OCCBr)C[C@@H]1C(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 2/20 0.49
FKBP1A P62942 7/20 0.45
AGTR2 P50052 3/20 0.44
ABCB1 P08183 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KLK5 Q9Y337 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CTSL P07711 1/20 0.39

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
SCHEMBL16064932 0.90 ABCB1 (0.47) KLK7FKBP1AABCB1CTSL
SCHEMBL29550939 0.83 KLK7 (0.48) KLK7FKBP1AAGTR2MEN1KMT2A
SCHEMBL22322657 0.83 KLK7 (0.48) KLK7FKBP1AAGTR2MEN1KMT2A
SCHEMBL7404715 0.83 FKBP1A (0.58) KLK7FKBP1AMEN1KMT2ACTSL
SCHEMBL29447560 0.83 FKBP1A (0.58) KLK7FKBP1AMEN1KMT2ACTSL
SCHEMBL16978825 0.83 KLK7 (0.55) KLK7FKBP1AAGTR2ABCB1MEN1
SCHEMBL22333685 0.83 KLK7 (0.55) KLK7FKBP1AAGTR2ABCB1MEN1
SCHEMBL29551303 0.83 FKBP1A (0.50) KLK7FKBP1AMEN1KMT2ACTSL
SCHEMBL16064974 0.83 FKBP1A (0.50) KLK7FKBP1AMEN1KMT2ACTSL
SCHEMBL28632436 0.83 FKBP1A (0.50) KLK7FKBP1AMEN1KMT2ACTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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-20140275155-A1 SUBSTITUTED BICYCLIC 1-CARBOXYLIC-ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CPN1, CPA1 KLK7 1635/4885FKBP1A 1286/4885AGTR2 541/4885

“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.