SCHEMBL30219006

SCHEMBL30219006

CC(C)(C)OC(=O)N[C@H](C#N)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 11/20 0.45
▸ CTSK P43235 9/20 0.45
▸ AAK1 Q2M2I8 2/20 0.44
▸ ROCK1 Q13464 1/20 0.43
▸ PRMT5 O14744 1/20 0.42
▸ WDR77 Q9BQA1 1/20 0.42
▸ BACE1 P56817 1/20 0.39
▸ BACE2 Q9Y5Z0 1/20 0.39
▸ CTSB P07858 4/20 0.38
▸ CTSL P07711 2/20 0.38
▸ TRPA1 O75762 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
SCHEMBL16064445 1.00 CTSS (0.45) CTSSCTSKAAK1ROCK1PRMT5
SCHEMBL28989398 1.00 CTSS (0.45) CTSSCTSKAAK1ROCK1PRMT5
SCHEMBL25528857 0.84 AAK1 (0.45) CTSSCTSKAAK1ROCK1PRMT5
SCHEMBL17258271 0.84 AAK1 (0.45) CTSSCTSKAAK1ROCK1PRMT5
SCHEMBL17258286 0.84 AAK1 (0.45) CTSSCTSKAAK1ROCK1PRMT5
SCHEMBL17002747 0.84 CTSS (0.46) CTSSCTSKAAK1ROCK1PRMT5
SCHEMBL16064953 0.84 ESR2 (0.51) CTSSCTSKAAK1PRMT5WDR77
SCHEMBL19154996 0.80 CTSS (0.52) CTSSCTSKCTSBCTSLTRPA1
SCHEMBL18643677 0.80 CTSC (0.41) CTSKROCK1
SCHEMBL22643274 0.80 BACE1 (0.37) CTSKROCK1BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665717-A2 USES OF CERTAIN 1,4-OXAZEPANE-2-CARBOXAMIDES AS DPP1 INHIBITORS Insmed Incorporated (US) 2025-12-24 — — EP disclosed
US-12365673-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof HAISCO PHARMACEUTICALS PTE. LTD. (SG) 2025-07-22 — — US disclosed
EP-4497473-A2 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF Haisco Pharmaceuticals Pte. Ltd. (SG) 2025-01-29 — — EP disclosed
EP-4129989-B1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF HAISCO PHARMACEUTICALS PTE LTD (SG) 2024-10-02 — — EP disclosed
WO-2024173556-A2 USES OF CERTAIN 1,4-OXAZEPANE-2-CARBOXAMIDES AS DPP1 INHIBITORS INSMED INCORPORATED (US) 2024-08-22 — — WO disclosed
US-20240059681-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF HAISCO PHARMACEUTICALS PTE. LTD. (SG) 2024-02-22 — — US disclosed
US-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof HAISCO PHARMACEUTICALS PTE. LTD. (SG) 2023-11-07 — — US disclosed
US-20230121807-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF HAISCO PHARMACEUTICALS PTE. LTD (SG) 2023-04-20 — — US disclosed
EP-4129989-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF Haisco Pharmaceuticals Pte. Ltd. (SG) 2023-02-08 — — EP 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 (4 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-11807635-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof DPP4, DPP3, DPP9 CTSS 292/4885CTSK 454/4885AAK1 2410/4885
US-12365673-B2 Nitrile derivative that acts as inhibitor of dipeptidyl peptidase 1 and use thereof DPP4, DPP3, DPP9 CTSS 292/4885CTSK 454/4885AAK1 2410/4885
US-20240059681-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF DPP4, DPP3, DPP9 CTSS 292/4885CTSK 454/4885AAK1 2410/4885
US-20230121807-A1 NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF DPP4, DPP3, DPP9 CTSS 292/4885CTSK 454/4885AAK1 2410/4885

“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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