SCHEMBL30357421

SCHEMBL30357421

CC(C)(C)OC(=O)N1CCOCCC1C(=O)N[C@H](C#N)Cc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 20/20 0.52
▸ KCNH2 Q12809 5/20 0.50
▸ LTB4R Q15722 1/20 0.50
▸ LTB4R2 Q9NPC1 1/20 0.50
▸ CTSK P43235 3/20 0.49

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
SCHEMBL2072188 0.82 CTSC (0.53) CTSCCTSK
SCHEMBL2072191 0.82 CTSC (0.53) CTSCCTSK
SCHEMBL289950 0.80 CTSC (0.67) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL2072367 0.80 CTSC (0.47) CTSCKCNH2CTSK
SCHEMBL2072370 0.80 CTSC (0.47) CTSCKCNH2CTSK
SCHEMBL30738906 0.79 CTSC (0.51) CTSCKCNH2CTSK
SCHEMBL30738872 0.79 CTSC (0.56) CTSCKCNH2CTSK
SCHEMBL30738936 0.78 CTSC (0.56) CTSCKCNH2CTSK
SCHEMBL12383351 0.78 CTSC (0.53) CTSCKCNH2CTSK
SCHEMBL16932243 0.78 CTSC (0.61) CTSCKCNH2CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655223-B2 Certain (2S)-N-[(1 s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-05-23 — — US disclosed
US-20230028726-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS BIOPHARMA CREDIT PLC (GB) 2023-01-26 — — 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-20230028726-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 CTSC 7/4885KCNH2 2475/4885LTB4R 636/4885
US-11655223-B2 Certain (2S)-N-[(1 s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPP3 CTSC 7/4885KCNH2 2492/4885LTB4R 579/4885

“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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