SCHEMBL21264082

SCHEMBL21264082

C=CC(=O)Nc1cc(C(C)(C)C)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.46
HTT P42858 2/20 0.46
HPGD P15428 1/20 0.46
TGM2 P21980 3/20 0.44
PPARG P37231 1/20 0.43
EGFR P00533 1/20 0.43
FYN P06241 1/20 0.43
SRC P12931 1/20 0.43
EPHB4 P54760 2/20 0.42
TEK Q02763 2/20 0.42
KDR P35968 1/20 0.41
LMNA P02545 1/20 0.40
MAPK3 P27361 2/20 0.39
JAK3 P52333 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL24225035 0.86 TGM2 (0.58) HTTTGM2MAPK3MEN1KMT2A
SCHEMBL21568082 0.82 HTT (0.51) HTTHPGDPPARGLMNAMEN1
SCHEMBL13849156 0.80 ALDH1A1 (0.52) HTTHPGDPPARGLMNAMEN1
SCHEMBL31162390 0.80 TGM2 (0.58) TGM2LMNAMAPK3MEN1KMT2A
SCHEMBL21894170 0.80 TGM2 (0.58) TGM2LMNAMAPK3MEN1KMT2A
SCHEMBL25463164 0.80 HTT (0.42) HTTHPGDPPARGEGFRLMNA
SCHEMBL23293735 0.79 TGM2 (0.47) BTKTGM2LMNAMAPK3JAK3
SCHEMBL15828700 0.79 KIF11 (0.51) HTTHPGDPPARGLMNA
SCHEMBL11508898 0.79 TGM2 (0.61) BTKTGM2EGFRLMNAJAK3
SCHEMBL16104950 0.78 TGM2 (0.46) BTKTGM2LMNAMAPK3JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310453-A1 METHODS FOR EXTRACTING NEUTROPHIL SERINE PROTEASES AND TREATING DIPEPTIDYL PEPTIDASE 1-MEDIATED CONDITIONS INSMED INCORPORATED 2023-10-05 US disclosed
US-20230250071-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS ASTRAZENECA AB (SE) 2023-08-10 US disclosed
US-11680049-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-20 US disclosed
US-11673871-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-13 US disclosed
US-11667615-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-06-06 US disclosed
US-11655221-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-05-23 US disclosed
US-11655223-B2 Certain (2S)-N-[(1 s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2023-05-23 US disclosed
US-20190247400-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES FOR TREATING GRANULOMATOSIS WITH POLYANGIITIS INSMED INCORPORATED 2019-08-15 US 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 (8 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-20230250071-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 BTK 2905/4885HTT 4781/4885HPGD 679/4885
US-11655221-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 BTK 2905/4885HTT 4781/4885HPGD 679/4885
US-11667615-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 BTK 2907/4885HTT 4771/4885HPGD 669/4885
US-11655223-B2 Certain (2S)-N-[(1 s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPP3 BTK 3126/4885HTT 4725/4885HPGD 710/4885
US-11673871-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 BTK 2907/4885HTT 4771/4885HPGD 669/4885
US-11680049-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 BTK 2905/4885HTT 4781/4885HPGD 679/4885
US-20190247400-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES FOR TREATING GRANULOMATOSIS WITH POLYANGIITIS DPP7, DPP8, DPP9 BTK 1305/4885HTT 4634/4885HPGD 2481/4885
US-20230310453-A1 METHODS FOR EXTRACTING NEUTROPHIL SERINE PROTEASES AND TREATING DIPEPTIDYL PEPTIDASE 1-MEDIATED CONDITIONS PRSS3, SERPINB1, DPP3 BTK 4202/4885HTT 4181/4885HPGD 686/4885

“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.