SCHEMBL20162068

SCHEMBL20162068

CN1C(=O)CNc2ccc(-c3ccc(CC(C#N)NC(=O)[C@@H]4CNCCCO4)cc3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSC P53634 20/20 1.00
KCNH2 Q12809 3/20 0.66

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
SCHEMBL16932274 1.00 CTSC (1.00) CTSCKCNH2
SCHEMBL16948386 1.00 CTSC (1.00) CTSCKCNH2
SCHEMBL16932342 0.87 CTSC (1.00) CTSCKCNH2
SCHEMBL20162042 0.87 CTSC (1.00) CTSCKCNH2
SCHEMBL29433601 0.87 CTSC (1.00) CTSCKCNH2
SCHEMBL20162065 0.86 CTSC (1.00) CTSCKCNH2
SCHEMBL16932313 0.86 CTSC (1.00) CTSCKCNH2
SCHEMBL29433615 0.86 CTSC (1.00) CTSCKCNH2
SCHEMBL31758469 0.86 CTSC (0.78) CTSCKCNH2
SCHEMBL29038855 0.86 CTSC (0.75) CTSCKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110483492-B Dipeptidyl peptidase I inhibitors 阿斯利康(瑞典)有限公司 2023-07-21 CN disclosed
US-11117874-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2021-09-14 US disclosed
US-20210238152-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS BIOPHARMA CREDIT PLC (GB) 2021-08-05 US disclosed
US-20200247765-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS BIOPHARMA CREDIT PLC (GB) 2020-08-06 US disclosed
US-10669245-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2020-06-02 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 (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-10669245-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 CTSC 7/4885KCNH2 2544/4885
US-20210238152-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 2478/4885
US-20200247765-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 2478/4885
US-11117874-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 CTSC 7/4885KCNH2 2478/4885

“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.