SCHEMBL17586451

SCHEMBL17586451

CC(C)(C)OC(=O)N1CC2(C1)OC(=O)c1ccc(Br)cc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB2 O95067 1/20 0.42
CCNB1 P14635 1/20 0.42
GSK3B P49841 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
BACE1 P56817 6/20 0.40
ROCK2 O75116 1/20 0.40
USP30 Q70CQ3 3/20 0.39
PDK2 Q15119 1/20 0.39
ALK Q9UM73 2/20 0.37
ESR2 Q92731 1/20 0.36
PDK4 Q16654 1/20 0.36

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
SCHEMBL17586449 0.91 USP30 (0.42) RORCCDK1CCNB2CCNB1GSK3B
SCHEMBL17586448 0.89 ALK (0.43) RORCCDK1CCNB2CCNB1GSK3B
SCHEMBL30476256 0.84 PDK2 (0.37) RORCUSP30PDK2ALKESR2
SCHEMBL30476276 0.84 HSD11B1 (0.46) PDK2PDK4
SCHEMBL30508369 0.80 AVPR1A (0.48) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL20502778 0.79 RORC (0.41) RORCBACE1ROCK2USP30ESR2
SCHEMBL30476239 0.78 USP30 (0.41) RORCROCK2USP30PDK2ESR2
SCHEMBL17586456 0.77 OPRM1 (0.40) BACE1
SCHEMBL12097232 0.75 RORC (0.40) RORCBACE1ROCK2USP30ESR2
SCHEMBL349129 0.75 HSD11B1 (0.55) USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3511331-A1 SPIROCYCLIC INHIBITORS OF CATHEPSIN C Boehringer Ingelheim International GmbH (DE) 2019-07-17 EP disclosed
US-9879026-B2 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-30 US disclosed
US-9879026-B2 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-01-30 US disclosed
US-20170073352-A1 NOVEL SUBSTITUTED SPIROCYCLES BOEHRINGER INGELHEIM INT (DE) 2017-03-16 US disclosed
US-20170073352-A1 NOVEL SUBSTITUTED SPIROCYCLES BOEHRINGER INGELHEIM INT (DE) 2017-03-16 US disclosed
US-9540373-B2 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-10 US disclosed
US-9540373-B2 Substituted spirocycles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-01-10 US disclosed
US-20160075704-A1 NOVEL SUBSTITUTED SPIROCYCLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-03-17 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-20160075704-A1 NOVEL SUBSTITUTED SPIROCYCLES CTSC, CTSE, CTSS RORC 218/4885CDK1 2371/4885CCNB2 3379/4885
US-20170073352-A1 NOVEL SUBSTITUTED SPIROCYCLES CTSC, CTSE, CTSS RORC 218/4885CDK1 2371/4885CCNB2 3379/4885

“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.