SCHEMBL20172614

SCHEMBL20172614

Cc1ccc(-c2ccc(OC=O)c(N(C)C)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.33
MCL1 Q07820 1/20 0.33
CA12 O43570 1/20 0.32
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 4/20 0.31
ALKBH3 Q96Q83 2/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 2/20 0.31
KMT2A Q03164 2/20 0.31
HPGD P15428 2/20 0.31
LMNA P02545 1/20 0.31
TNNI3 P19429 1/20 0.31
TNNT2 P45379 1/20 0.31
TNNC1 P63316 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
DHODH Q02127 1/20 0.31
CYP2A6 P11509 1/20 0.31

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
SCHEMBL19513178 0.75 CCR5 (0.48) APPALDH1A1TSHRMEN1KMT2A
SCHEMBL24697490 0.74 HPGD (0.36) APPMCL1CA12CA9ALDH1A1
SCHEMBL21635975 0.73 ACHE (0.39) APPALDH1A1ALKBH3TSHRMEN1
SCHEMBL21013783 0.71 EGLN1 (0.33) MCL1CA12CA9ALDH1A1TSHR
SCHEMBL3196051 0.70 ALDH1A1 (0.41) APPCA12CA9ALDH1A1TSHR
SCHEMBL14363845 0.69 ACHE (0.48) CA9ALDH1A1TSHRMEN1MAPT
SCHEMBL4570686 0.69 ACHE (0.42) CA9TSHRMEN1KMT2ALMNA
SCHEMBL24783527 0.69 MAPT (0.33) APPALDH1A1MAPTHPGDLMNA
SCHEMBL29282087 0.68 ALKBH3 (0.48) ALKBH3MAPTMAOAMAOBDHODH
SCHEMBL18645177 0.67 ALDH1A1 (0.41) MCL1CA12CA9ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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-20230278969-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 APP 1736/4885MCL1 4148/4885CA12 968/4885

“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.