SCHEMBL21635975

SCHEMBL21635975

COc1ccc(-c2ccc(C)cc2)cc1N(C)C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
ALDH1A1 P00352 7/20 0.38
HPGD P15428 3/20 0.38
ACLY P53396 3/20 0.38
PDGFRB P09619 1/20 0.37
PDGFRA P16234 1/20 0.37
ERN1 O75460 1/20 0.37
LMNA P02545 3/20 0.36
MCOLN3 Q8TDD5 2/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
ALKBH3 Q96Q83 2/20 0.36
CYP3A4 P08684 1/20 0.36
LTB4R Q15722 1/20 0.36
APP P05067 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 3/20 0.35
HTT P42858 3/20 0.35
TNNI3 P19429 1/20 0.35

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
SCHEMBL23653794 0.87 ACHE (0.48) ACHEALDH1A1HPGDLMNAMCOLN3
SCHEMBL24503166 0.77 PDE4D (0.34) ALDH1A1HPGDACLYERN1LMNA
SCHEMBL20172614 0.73 APP (0.33) ALDH1A1HPGDLMNAALKBH3APP
SCHEMBL19676874 0.72 HPGD (0.38) ALDH1A1HPGDLMNAGAACYP3A4
SCHEMBL20176908 0.72 KDM4E (0.34) ALDH1A1ACLYPDGFRBPDGFRAERN1
SCHEMBL12333997 0.72 ACHE (0.67) ACHEALDH1A1HPGDPDGFRBPDGFRA
SCHEMBL31042563 0.72 ACHE (0.67) ACHEALDH1A1HPGDPDGFRBPDGFRA
SCHEMBL1047750 0.72 ACHE (0.67) ACHEALDH1A1HPGDPDGFRBPDGFRA
SCHEMBL24981085 0.71 CYP19A1 (0.33) ERN1
SCHEMBL7827917 0.71 CA1 (0.46) ALDH1A1ERN1GAAAPPHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2020018551-A1 CERTAIN (2S)- N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4- OXAZEPANE-2-CARBOXAMIDES FOR TREATING INFLAMMATORY BOWEL DISEASE INSMED INCORPORATED (US) 2020-01-23 WO disclosed
WO-2020018547-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES FOR TREATING LUPUS NEPHRITIS INSMED INCORPORATED (US) 2020-01-23 WO 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-11773069-B2 Certain (2s)-n-[(1s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 ACHE 303/4885ALDH1A1 81/4885HPGD 669/4885

“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.