SCHEMBL20172647

SCHEMBL20172647

N#CCNC(=O)C1(N)CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSC P53634 5/20 0.43
KCNH2 Q12809 1/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
CTSL P07711 9/20 0.41
CTSK P43235 8/20 0.41
CTSS P25774 8/20 0.41
CTSB P07858 6/20 0.41

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
SCHEMBL4652077 0.82 CTSK (0.48) CTSCKCNH2CTSLCTSKCTSS
SCHEMBL6252182 0.82 CTSK (0.48) CTSCKCNH2CTSLCTSKCTSS
SCHEMBL18664188 0.82 HTT (0.44) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL6183365 0.77 CTSK (0.44) CTSCKCNH2CTSLCTSKCTSS
SCHEMBL5330574 0.76 CYP2D6 (0.39) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL1515589 0.74 CTSC (0.37) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL24503023 0.73 CTSC (0.50) CTSCKCNH2LTB4RLTB4R2CTSK
SCHEMBL18664190 0.71 HTT (0.38) CTSCKCNH2LTB4RLTB4R2
SCHEMBL12955348 0.69
Hydrochloric Acid SCHEMBL15795178 0.67 KMT2A (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11814359-B2 Certain (2s)-n-[(1s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-11-14 US disclosed
US-11773069-B2 Certain (2s)-n-[(1s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-10-03 US disclosed
US-20230278969-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS BIOPHARMA CREDIT PLC (GB) 2023-09-07 US disclosed
EP-3323814-B1 (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2020-05-13 EP 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 (3 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-11773069-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 2475/4885LTB4R 636/4885
US-11814359-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 2278/4885LTB4R 635/4885
US-20230278969-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

“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.