SCHEMBL20162060

SCHEMBL20162060

CC(C)(C)OC(=O)NC(C#N)Cc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSC P53634 19/20 0.56
KCNH2 Q12809 5/20 0.56
CTSK P43235 4/20 0.56
CTSS P25774 1/20 0.56
LTB4R Q15722 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.54

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
SCHEMBL30195065 1.00 CTSC (0.56) CTSCKCNH2CTSKCTSSLTB4R
SCHEMBL2074655 0.89 CTSC (0.57) CTSCKCNH2CTSKCTSS
SCHEMBL2074657 0.89 CTSC (0.57) CTSCKCNH2CTSKCTSS
SCHEMBL16485759 0.86 CTSC (0.48) CTSCKCNH2CTSKCTSSLTB4R
SCHEMBL21013700 0.85 CTSK (0.52) CTSCCTSKCTSS
SCHEMBL16478082 0.84 CTSC (0.61) CTSCKCNH2CTSKLTB4RLTB4R2
SCHEMBL16478084 0.84 CTSC (0.61) CTSCKCNH2CTSKLTB4RLTB4R2
SCHEMBL16485739 0.84 CTSC (0.58) CTSCKCNH2CTSKLTB4RLTB4R2
SCHEMBL16478098 0.84 CTSC (0.63) CTSCKCNH2CTSKLTB4RLTB4R2
SCHEMBL16478099 0.84 CTSC (0.63) CTSCKCNH2CTSKLTB4RLTB4R2

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-20230025351-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
EP-3323814-A1 (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2018-05-23 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 (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-20230025351-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 2475/4885CTSK 432/4885

“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.