Sugi Predict

Sugi Predict / Compounds / SCHEMBL1332876

SCHEMBL1332876

SCHEMBL1332876

O=C1CSc2ccc(Br)cc2N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 4/20 0.59
▸ ALDH1A1 P00352 4/20 0.54
▸ LMNA P02545 3/20 0.54
▸ MAOA P21397 4/20 0.53
▸ MAOB P27338 4/20 0.53
▸ EPHX2 P34913 1/20 0.53
▸ CMA1 P23946 1/20 0.51
▸ AHR P35869 1/20 0.51
▸ HPGD P15428 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ PDE3B Q13370 1/20 0.46
▸ PDE3A Q14432 1/20 0.46
▸ ATM Q13315 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ NPC1 O15118 2/20 0.43

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
SCHEMBL30199790 1.00 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL299571 0.87 MAOB (0.64) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL19630003 0.79 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL7454625 0.79 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL434490 0.79 EPHX2 (0.77) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL10509516 0.79 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL3601956 0.79 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL15875502 0.79 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL11447889 0.79 ALDH1A1 (0.58) HTTALDH1A1LMNAMAOAMAOB
SCHEMBL395053 0.79 HTT (0.59) HTTALDH1A1LMNAMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947846-B Parallel ring derivative and preparation method and application thereof 成都硕德药业有限公司 2026-02-27 — — CN disclosed
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
CN-115151304-B Small molecule interferon gene stimulating factor (STING) antagonists 库拉德夫制药私人有限公司 2025-02-11 — — CN 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-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-118019738-A Small molecule urea derivatives as STING antagonists 库拉德夫制药私人有限公司 2024-05-10 — — 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
CN-116947846-A Parallel ring derivative and preparation method and application thereof 成都苑东生物制药股份有限公司 2023-10-27 — — CN disclosed
CN-116867776-A Histone deacetylase inhibitor and application thereof 微境生物医药科技(上海)有限公司 2023-10-10 — — CN disclosed
US-20170057938-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS BIOPHARMA CREDIT PLC (GB) 2017-03-02 — — US disclosed
US-9522894-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors ASTRAZENECA AB (SE) 2016-12-20 — — US disclosed
EP-3097086-A1 (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE I INHIBITORS Astrazeneca AB (SE) 2016-11-30 — — EP disclosed
CN-105980367-A (2S) -N- [ (1S) -1-cyano-2-phenylethyl ] -1, 4-oxazepane-2-carboxamides as dipeptidyl peptidase I inhibitors 阿斯利康(瑞典)有限公司 2016-09-28 — — CN disclosed
US-20150210655-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS ASTRAZENECA AB (SE) 2015-07-30 — — 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
WO-2012130306-A1 BICYCLIC 2,3-DIHYRDOBENZAZINE COMPOUNDS FOR USE IN THERAPY ELARA PHARMACEUTICALS GMBH (DE) 2012-10-04 — — WO disclosed
US-20110281854-A1 MORPHOLINE COMPOUNDS PFIZER INC 2011-11-17 — — US disclosed
WO-2011057892-A1 2,3-DIHYDROBENZOXAZINE AND 2,3-DIHYDROBENZOTHIAZINE DERIVATES AS HIF-INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES ELARA PHARMACEUTICALS GMBH (DE) 2011-05-19 — — WO disclosed
US-4223136-A 2,3-Dihydro-3-oxo-5H-pyrido[3,4-b][1,4]-benzothiazine-4-carbonitriles G. D. SEARLE & CO. (US) 1980-09-16 — — 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 (6 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 HTT 4781/4885ALDH1A1 78/4885LMNA 3862/4885
US-20170057938-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 HTT 4771/4885ALDH1A1 81/4885LMNA 3824/4885
US-20110281854-A1 MORPHOLINE COMPOUNDS REN, MC2R, NR3C2 HTT 3685/4885ALDH1A1 3237/4885LMNA 1827/4885
US-12054465-B2 Certain (2S)-N-[(1S)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 HTT 4781/4885ALDH1A1 78/4885LMNA 3862/4885
US-11814359-B2 Certain (2s)-n-[(1s)-1-cyano-2-phenylethyl]-1,4-oxazepane-2-carboxamides as dipeptidyl peptidase 1 inhibitors DPP4, DPP7, DPEP1 HTT 4765/4885ALDH1A1 80/4885LMNA 3873/4885
US-20150210655-A1 CERTAIN (2S)-N-[(1S)-1-CYANO-2-PHENYLETHYL]-1,4-OXAZEPANE-2-CARBOXAMIDES AS DIPEPTIDYL PEPTIDASE 1 INHIBITORS DPP4, DPP7, DPEP1 HTT 4771/4885ALDH1A1 81/4885LMNA 3824/4885

“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.