SCHEMBL30214703

SCHEMBL30214703

COCCn1c(=O)sc2ccc(Cl)cc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 3/20 0.60
▸ SIGMAR1 Q99720 1/20 0.54
▸ RAB9A P51151 8/20 0.47
▸ NPC1 O15118 6/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ TSHR P16473 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 7/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ ALPG P10696 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TRAF6 Q9Y4K3 1/20 0.42
▸ NPY5R Q15761 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41

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
SCHEMBL16932349 1.00 TMEM97 (0.60) TMEM97SIGMAR1RAB9ANPC1SMN1; SMN2
SCHEMBL16948321 0.84 RAB9A (0.54) TMEM97SIGMAR1RAB9ANPC1SMN1; SMN2
SCHEMBL288713 0.83 SIGMAR1 (0.54) TMEM97SIGMAR1RAB9ANPC1SMN1; SMN2
SCHEMBL26655054 0.83 SMN1; SMN2 (0.60) TMEM97RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL15295194 0.81 TMEM97 (0.66) TMEM97SIGMAR1NPY5R
SCHEMBL21991380 0.81 RAB9A (0.45) TMEM97RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL16939094 0.81 RAB9A (0.45) TMEM97SIGMAR1RAB9ANPC1SMN1; SMN2
SCHEMBL10802670 0.80 SIGMAR1 (0.63) TMEM97SIGMAR1NPY5RDRD2DRD4
SCHEMBL8870033 0.79 TMEM97 (0.67) TMEM97SIGMAR1RAB9ANPC1SMN1; SMN2
SCHEMBL30194878 0.79 SMN1; SMN2 (0.70) RAB9ANPC1SMN1; SMN2TSHRGAA

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
CN-110483492-B Dipeptidyl peptidase I inhibitors 阿斯利康(瑞典)有限公司 2023-07-21 — — CN 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-20230116721-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS BIOPHARMA CREDIT PLC (GB) 2023-04-13 — — US disclosed
US-20230069044-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS BIOPHARMA CREDIT PLC (GB) 2023-03-02 — — 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 (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-20230069044-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 TMEM97 3758/4885SIGMAR1 2192/4885RAB9A 3945/4885
US-11655221-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 TMEM97 3758/4885SIGMAR1 2192/4885RAB9A 3945/4885
US-20230116721-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 TMEM97 3762/4885SIGMAR1 2219/4885RAB9A 3946/4885

“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.

Send feedback