SCHEMBL16070954

SCHEMBL16070954

CC(C)(C)OC(=O)N1C2CCC(CC2)[C@H]1C(=O)N[C@@H](Cc1ccc(Br)cc1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 4/20 0.43
▸ CTSS P25774 1/20 0.41
▸ CTSK P43235 1/20 0.41
▸ MCL1 Q07820 4/20 0.40
▸ FPR3 P25089 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ELANE P08246 1/20 0.38
▸ ITGB1 P05556 2/20 0.38
▸ ITGA4 P13612 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ UGCG Q16739 1/20 0.38
▸ CACNA1B Q00975 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ HTRA1 Q92743 1/20 0.37
▸ KCNK3 O14649 1/20 0.37
▸ KCNK9 Q9NPC2 1/20 0.37

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
SCHEMBL15081660 0.94 PREP (0.44) PREPCTSSCTSKMCL1FPR3
SCHEMBL15064894 0.85 PREP (0.44) PREPMAPK1ITGB1ITGA4CACNA1B
SCHEMBL15064893 0.85 PREP (0.44) PREPMAPK1ITGB1ITGA4CACNA1B
SCHEMBL15083997 0.85 CTSS (0.41) CTSSCTSKMCL1FPR3FPR2
SCHEMBL15084090 0.83 PREP (0.42) PREPCTSKMAPK1P2RX7HTRA1
SCHEMBL15081676 0.82 HTRA1 (0.44) PREPMAPK1CACNA1BHTRA1
SCHEMBL14822178 0.82 PREP (0.41) PREPMAPK1ITGB1ITGA4CACNA1B
SCHEMBL15081677 0.81 ALDH1A1 (0.42) PREPMAPK1CYP3A4CACNA1BHTRA1
SCHEMBL15081647 0.81 CTSC (0.42) PREPMAPK1CACNA1BHTRA1
SCHEMBL16622346 0.81 PREP (0.40) PREPMAPK1ITGB1ITGA4HTRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073869-B2 Method of using substituted 2-Aza-bicyclo[2.2.2]octane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 — — US disclosed
US-20140378504-A1 METHOD OF USING SUBSTITUTED 2-AZA-BICYCLO[2.2.2]OCTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-12-25 — — US disclosed
US-8877775-B2 Substituted 2-aza-bicyclo[2.2.2]octane-3-carboxylic acid (benzyl-cyano-methyl)-amides inhibitors of cathepsin C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-04 — — US disclosed
WO-2014140091-A1 SUBSTITUTED 2-AZA-BICYCLO[2.2.2]OCTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-18 — — WO disclosed
US-20140275159-A1 SUBSTITUTED 2-AZA-BICYCLO[2.2.2]OCTANE-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 (2 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-20140378504-A1 METHOD OF USING SUBSTITUTED 2-AZA-BICYCLO[2.2.2]OCTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSZ, CTSB PREP 36/4885CTSS 4/4885CTSK 11/4885
US-20140275159-A1 SUBSTITUTED 2-AZA-BICYCLO[2.2.2]OCTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSB, CTSG PREP 41/4885CTSS 6/4885CTSK 14/4885

“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.

Send feedback