SCHEMBL20172639

SCHEMBL20172639

Cc1ccc(-c2ccc3oc(=O)n(C)c3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR55 Q9Y2T6 2/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 3/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
CD74 P04233 1/20 0.42
MIF P14174 1/20 0.42
HSD11B1 P28845 1/20 0.42
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAOB P27338 1/20 0.41
KCNJ1 P48048 2/20 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
SCHEMBL434086 0.86 MIF (0.54) ALDH1A1KMT2ACD74MIFMEN1
SCHEMBL18593724 0.83 KCNJ1 (0.45) GPR55KMT2ADDB1CRBNMIF
SCHEMBL21992183 0.80 MIF (0.52) ALDH1A1KMT2ACD74MIFMEN1
SCHEMBL24981984 0.79 GPR55 (0.42) GPR55ALDH1A1KMT2ADDB1CRBN
SCHEMBL22314900 0.78 MEN1 (0.45) GPR55ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL20172646 0.78 CTSC (0.41) ALDH1A1KMT2AHSD11B1PKMSMN1; SMN2
SCHEMBL782951 0.76 CYP19A1 (0.55) GPR55
SCHEMBL10825615 0.76 DDB1 (0.41) GPR55ALDH1A1DDB1CRBNKCNJ1
SCHEMBL1025445 0.75 PKM (0.58) ALDH1A1KMT2AMIFMEN1POLB
SCHEMBL10650193 0.75 CYP11B1 (0.41) GPR55ALDH1A1SMN1; SMN2RAB9AKCNJ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024148308-A1 NOVEL, REVERSIBLE DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2024-07-11 WO disclosed
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-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
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
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
WO-2020018551-A1 CERTAIN (2S)- N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4- OXAZEPANE-2-CARBOXAMIDES FOR TREATING INFLAMMATORY BOWEL DISEASE 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 (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 GPR55 3828/4885ALDH1A1 81/4885KMT2A 1794/4885
US-11814359-B2 Certain (2s)-n-[(1s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 GPR55 3615/4885ALDH1A1 80/4885KMT2A 1598/4885
US-20230278969-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 GPR55 3828/4885ALDH1A1 81/4885KMT2A 1794/4885
US-20230033573-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 GPR55 3828/4885ALDH1A1 81/4885KMT2A 1794/4885

“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.