SCHEMBL21991380

SCHEMBL21991380

COCCn1c(=O)sc2ccc(C(C)C)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.45
NPC1 O15118 6/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
TSHR P16473 3/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 7/20 0.43
TDP1 Q9NUW8 2/20 0.42
TP53 P04637 1/20 0.42
CASR P41180 3/20 0.41
TMEM97 Q5BJF2 3/20 0.40
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C19 P33261 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
ATM Q13315 1/20 0.39
HPGD P15428 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
SCHEMBL16948321 0.82 RAB9A (0.54) RAB9ANPC1SMN1; SMN2TSHRGAA
SCHEMBL23507954 0.81 TMEM97 (0.38) SMN1; SMN2TSHRGAALMNAL3MBTL1
SCHEMBL288713 0.81 SIGMAR1 (0.54) RAB9ANPC1SMN1; SMN2TSHRGAA
SCHEMBL26655054 0.81 SMN1; SMN2 (0.60) RAB9ANPC1SMN1; SMN2TSHRGAA
SCHEMBL30214703 0.81 TMEM97 (0.60) RAB9ANPC1SMN1; SMN2TSHRGAA
SCHEMBL16932349 0.81 TMEM97 (0.60) RAB9ANPC1SMN1; SMN2TSHRGAA
SCHEMBL16939094 0.78 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TSHRGAA
SCHEMBL30194878 0.77 SMN1; SMN2 (0.70) RAB9ANPC1SMN1; SMN2TSHRGAA
SCHEMBL12026652 0.76 GPR55 (0.47) RAB9ANPC1SMN1; SMN2TSHRL3MBTL1
SCHEMBL17807765 0.73 CNR2 (0.41) RAB9ANPC1SMN1; SMN2LMNAALDH1A1

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-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-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-11655224-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
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

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-20230250071-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 RAB9A 3945/4885NPC1 306/4885SMN1; SMN2 1853/4885
US-11655224-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 RAB9A 3945/4885NPC1 306/4885SMN1; SMN2 1853/4885
US-11667615-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 RAB9A 3946/4885NPC1 300/4885SMN1; SMN2 1846/4885

“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.