SCHEMBL265087

SCHEMBL265087

CN1C(=O)COc2ccc(Br)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.54
PDE3A Q14432 2/20 0.54
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
PKM P14618 1/20 0.51
NPR1 P16066 1/20 0.51
BLM P54132 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HTT P42858 1/20 0.43
GRM4 Q14833 1/20 0.43
CASP2 P42575 1/20 0.43
ALOX5 P09917 1/20 0.42
KMO O15229 1/20 0.42
GPR55 Q9Y2T6 1/20 0.41
PLK1 P53350 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL30336556 1.00 PDE3B (0.54) PDE3BPDE3ATSHRTP53CYP1A2
SCHEMBL30336213 0.87 CYP11B2 (0.53) PDE3BPDE3ATSHRTP53CYP1A2
SCHEMBL15059383 0.87 CYP11B2 (0.53) PDE3BPDE3ATSHRTP53CYP1A2
SCHEMBL15964515 0.84 PDE3B (0.43) PDE3BPDE3ATSHRTP53CYP1A2
SCHEMBL280110 0.81 TSHR (0.58) PDE3BPDE3ATSHRTP53CYP1A2
SCHEMBL16184461 0.81 HTT (0.51) TSHRTP53CYP1A2CYP3A4PKM
SCHEMBL653919 0.80 PDE3B (0.51) PDE3BPDE3ATSHRCYP11B1CYP11B2
SCHEMBL3332098 0.80 PDE3B (0.51) PDE3BPDE3ATSHRCYP11B1CYP11B2
SCHEMBL13780087 0.80 KMO (0.58) PDE3BPDE3ATSHRHTTKMO
SCHEMBL4258598 0.80 TSHR (0.51) PDE3BPDE3ATSHRTP53CYP1A2

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 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4548972-A2 (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2025-05-07 EP disclosed
EP-3744714-B1 (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2025-01-15 EP disclosed
US-20240336582-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS ASTRAZENECA AB (SE) 2024-10-10 US disclosed
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-03 US disclosed
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-29 US disclosed
US-12054465-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2024-08-06 US disclosed
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
US-20240132455-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS ASTRAZENECA AB (SE) 2024-04-25 US 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
WO-2010128324-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 WO disclosed
WO-2010128324-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 WO disclosed
US-20100286118-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 US disclosed
US-20100286118-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 US disclosed
EP-2247595-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
US-20100173901-A1 Substituted Heterocyclic Compounds INCYTE CORPORATION (US) 2010-07-08 US disclosed
WO-2010075270-A1 4, 6-DISUBSTITUTED 2-AMINO-PYRIMIDINES AS HISTAMINE H4 RECEPTOR MODULATORS INCYTE CORPORATION (US) 2010-07-01 WO disclosed
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-12-17 US disclosed
WO-2009106445-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 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 (11 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-20240132455-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 PDE3B 215/4885PDE3A 167/4885TSHR 4180/4885
US-20100173901-A1 Substituted Heterocyclic Compounds HRH4, HRH2, HRH1 PDE3B 2642/4885PDE3A 3109/4885TSHR 1339/4885
US-20100286118-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CNR2 PDE3B 247/4885PDE3A 345/4885TSHR 1626/4885
US-11773069-B2 Certain (2s)-n-[(1s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 PDE3B 227/4885PDE3A 174/4885TSHR 4207/4885
US-12054465-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 PDE3B 215/4885PDE3A 167/4885TSHR 4180/4885
US-20240336582-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 PDE3B 215/4885PDE3A 167/4885TSHR 4180/4885
US-20090312314-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, NPSR1 PDE3B 4676/4885PDE3A 4679/4885TSHR 258/4885
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 PDE3B 3051/4885PDE3A 3680/4885TSHR 1399/4885
US-11814359-B2 Certain (2s)-n-[(1s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 PDE3B 212/4885PDE3A 154/4885TSHR 4220/4885
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK1 PDE3B 1283/4885PDE3A 1480/4885TSHR 2175/4885
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN PDE3B 563/4885PDE3A 1049/4885TSHR 1822/4885

“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.