SCHEMBL26079728

SCHEMBL26079728

CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H](C2)[C@H]1C(=O)N[C@H](N)Cc1ccc(Br)cc1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 3/20 0.43
▸ DPP4 P27487 1/20 0.43
▸ USP30 Q70CQ3 1/20 0.38
▸ AAK1 Q2M2I8 5/20 0.36
▸ P2RX7 Q99572 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ CTSK P43235 2/20 0.33
▸ CTSC P53634 2/20 0.33
▸ HTRA1 Q92743 1/20 0.33
▸ GPR119 Q8TDV5 2/20 0.33

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
SCHEMBL16064115 0.90 PREP (0.42) PREPDPP4USP30AAK1P2RX7
SCHEMBL18643728 0.90 PREP (0.42) PREPDPP4USP30AAK1P2RX7
SCHEMBL21233243 0.89 PREP (0.43) PREPDPP4USP30AAK1P2RX7
SCHEMBL22642902 0.88 CTSC (0.46) CTSKCTSC
SCHEMBL16064313 0.88 CTSC (0.46) CTSKCTSC
SCHEMBL16064323 0.88 CTSC (0.46) CTSKCTSC
SCHEMBL21172930 0.86 PREP (0.40) PREPDPP4USP30AAK1P2RX7
SCHEMBL22643115 0.85 CTSC (0.45) PREPDPP4CTSKCTSCGPR119
SCHEMBL22642801 0.84 CTSC (0.48) PREPDPP4CTSKCTSCGPR119
SCHEMBL22643251 0.84 CTSC (0.47) PREPDPP4CTSKCTSC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C BOEHRINGER INGELHEIM INT (DE) 2023-10-05 — — 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-20230310373-A1 METHODS FOR TREATING PULMONARY EMPHYSEMA USING SUBSTITUTED 2-AZA-BICYCLO[2.2.1]HEPTANE-3-CARBOXYLIC ACID (BENZYL-CYANO-METHYL)-AMIDES INHIBITORS OF CATHEPSIN C CTSC, CTSG, CTSZ PREP 25/4885DPP4 41/4885USP30 1196/4885

“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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