SCHEMBL18643677

SCHEMBL18643677

CC(C)(C)OC(=O)N1CC2CCC1(C(=O)N[C@H](C#N)Cc1ccc(B3OC(C)(C)C(C)(C)O3)cc1F)CC2

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 18/20 0.41
▸ CTSK P43235 8/20 0.41
▸ ROCK1 Q13464 1/20 0.37
▸ USP30 Q70CQ3 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
SCHEMBL16092766 0.86 CTSC (0.44) CTSCCTSKUSP30
SCHEMBL16064445 0.80 CTSS (0.45) CTSKROCK1
SCHEMBL28989398 0.80 CTSS (0.45) CTSKROCK1
SCHEMBL30219006 0.80 CTSS (0.45) CTSKROCK1
SCHEMBL16064245 0.78 CTSC (0.43) CTSCCTSK
SCHEMBL22643288 0.78 CTSC (0.43) CTSCCTSK
SCHEMBL16064277 0.78 CTSC (0.43) CTSCCTSK
SCHEMBL16645067 0.78 CTSC (0.43) CTSCCTSK
SCHEMBL31758867 0.77 USP30 (0.40) CTSCCTSKROCK1USP30
SCHEMBL18373157 0.76 CTSC (0.69) CTSCCTSK

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-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-20170073352-A1 NOVEL SUBSTITUTED SPIROCYCLES BOEHRINGER INGELHEIM INT (DE) 2017-03-16 — — 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-20170073352-A1 NOVEL SUBSTITUTED SPIROCYCLES CTSC, CTSE, CTSS CTSC 1/4885CTSK 13/4885ROCK1 2024/4885

“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.

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