SCHEMBL16948321

SCHEMBL16948321

COCCn1c(=O)sc2ccc(C)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.54
L3MBTL1 Q9Y468 7/20 0.54
NPC1 O15118 7/20 0.54
SMN1; SMN2 Q16637 7/20 0.54
TP53 P04637 1/20 0.54
TDP1 Q9NUW8 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP2C19 P33261 3/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 6/20 0.48
TSHR P16473 4/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 2/20 0.46
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
ATM Q13315 1/20 0.44
TMEM97 Q5BJF2 3/20 0.42
POLB P06746 1/20 0.40

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
SCHEMBL288713 0.84 SIGMAR1 (0.54) RAB9AL3MBTL1NPC1SMN1; SMN2TP53
SCHEMBL16932349 0.84 TMEM97 (0.60) RAB9AL3MBTL1NPC1SMN1; SMN2TP53
SCHEMBL26655054 0.84 SMN1; SMN2 (0.60) RAB9AL3MBTL1NPC1SMN1; SMN2TP53
SCHEMBL30214703 0.84 TMEM97 (0.60) RAB9AL3MBTL1NPC1SMN1; SMN2TP53
SCHEMBL16939094 0.82 RAB9A (0.45) RAB9AL3MBTL1NPC1SMN1; SMN2TP53
SCHEMBL21991380 0.82 RAB9A (0.45) RAB9AL3MBTL1NPC1SMN1; SMN2TP53
SCHEMBL30194878 0.80 SMN1; SMN2 (0.70) RAB9AL3MBTL1NPC1SMN1; SMN2TP53
SCHEMBL299220 0.76 RAB9A (0.40) RAB9AL3MBTL1NPC1SMN1; SMN2TP53
SCHEMBL9886026 0.74 CYP2A6 (0.44) RAB9AL3MBTL1NPC1SMN1; SMN2TP53
SCHEMBL16932290 0.73 RAB9A (0.38) RAB9AL3MBTL1NPC1SMN1; SMN2TP53

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
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-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
US-20230033573-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS BIOPHARMA CREDIT PLC (GB) 2023-02-02 US disclosed
WO-2015110826-A1 (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2015-07-30 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 (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-11773069-B2 Certain (2s)-n-[(1s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 RAB9A 3946/4885L3MBTL1 2377/4885NPC1 300/4885
US-11814359-B2 Certain (2s)-n-[(1s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 RAB9A 3905/4885L3MBTL1 2392/4885NPC1 336/4885
US-20230278969-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 RAB9A 3946/4885L3MBTL1 2377/4885NPC1 300/4885
US-20230033573-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 RAB9A 3946/4885L3MBTL1 2377/4885NPC1 300/4885

“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.