Sugi Predict

Sugi Predict / Compounds / SCHEMBL1004793

SCHEMBL1004793

SCHEMBL1004793

CCOC(=O)c1cc2c([nH]1)CCC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ ALDH1A1 P00352 6/20 0.46
▸ KDM4E B2RXH2 5/20 0.46
▸ HPGD P15428 5/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 5/20 0.44
▸ MAPT P10636 3/20 0.44
▸ ATM Q13315 2/20 0.44
▸ GLA P06280 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ ALOX15 P16050 2/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ HTT P42858 1/20 0.43
▸ MMP13 P45452 3/20 0.42

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
SCHEMBL1392811 0.97 HRH4 (0.51) HRH4HRH3RAB9AALDH1A1KDM4E
SCHEMBL22509467 0.95 HRH4 (0.50) HRH4HRH3RAB9AALDH1A1KDM4E
SCHEMBL21310107 0.95 HRH4 (0.50) HRH4HRH3RAB9AALDH1A1KDM4E
SCHEMBL17575660 0.95 HRH4 (0.50) HRH4HRH3RAB9AALDH1A1KDM4E
SCHEMBL24851409 0.95 HRH4 (0.50) HRH4HRH3RAB9AALDH1A1KDM4E
SCHEMBL23422230 0.87 HRH4 (0.46) HRH4HRH3RAB9AALDH1A1KDM4E
SCHEMBL10263178 0.81 HRH3 (0.43) HRH3RAB9AALDH1A1KDM4EHPGD
SCHEMBL13562340 0.81 HRH3 (0.43) HRH3RAB9AALDH1A1KDM4EHPGD
SCHEMBL2077218 0.81 BRD4 (0.47) HRH3RAB9AALDH1A1KDM4EHPGD
SCHEMBL975741 0.81 HRH3 (0.46) HRH3RAB9AALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120004902-A Heteroaryl heterocycles and uses thereof 和记黄埔医药（上海）有限公司 2025-05-16 — — CN disclosed
CN-119930630-A Heteroaryl heterocycles and uses thereof 和记黄埔医药（上海）有限公司 2025-05-06 — — CN disclosed
CN-119925375-A Heteroaryl heterocycles and uses thereof 和记黄埔医药（上海）有限公司 2025-05-06 — — CN disclosed
CN-115151535-B Heteroaryl heterocycles and uses thereof 和记黄埔医药（上海）有限公司 2025-01-10 — — CN disclosed
US-11478474-B2 2-(3′-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4′-bipyridin]-2′-yl)-7,7-dimethyl-7,8-dihydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one as a BTK inhibitor HUTCHISON MEDIPHARMA LIMITED (CN) 2022-10-25 — — US disclosed
CN-115151535-A Heteroaryl heterocyclic compounds and uses thereof 和记黄埔医药（上海）有限公司 2022-10-04 — — CN disclosed
US-20220125785-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2022-04-28 — — US disclosed
US-20120277238-A1 PHARMACEUTICAL COMPOSITION CONTAINING FUSED HETERO-RING DERIVATIVE SHIONOGI & CO., LTD (JP) 2012-11-01 — — US disclosed
US-20120277238-A1 PHARMACEUTICAL COMPOSITION CONTAINING FUSED HETERO-RING DERIVATIVE SHIONOGI & CO., LTD (JP) 2012-11-01 — — US disclosed
EP-2460794-A1 PHARMACEUTICAL COMPOSITION CONTAINING FUSED HETERO-RING DERIVATIVE Shionogi & Co., Ltd. (JP) 2012-06-06 — — EP disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 — — US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 — — US disclosed
US-7902252-B2 Inhibitors of D-amino acid oxidase SEPRACOR, INC. (US) 2011-03-08 — — US disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 — — WO disclosed
WO-2011011330-A2 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2011-01-27 — — WO disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 — — US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 — — US disclosed
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2010-02-04 — — US disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 — — US disclosed
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE SEPRACOR INC. (US) 2009-04-16 — — 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 (5 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-20120277238-A1 PHARMACEUTICAL COMPOSITION CONTAINING FUSED HETERO-RING DERIVATIVE HRH4, HRH3, HRH2 HRH4 1/4885HRH3 2/4885RAB9A 552/4885
US-20220125785-A1 HETEROARYL HETEROCYCLIC COMPOUNDS AND USES THEREOF CYP3A4, CYP4B1, CYP3A5 HRH4 202/4885HRH3 752/4885RAB9A 2962/4885
US-20090099248-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE HRH4 1801/4885HRH3 1384/4885RAB9A 2295/4885
US-11478474-B2 2-(3′-(hydroxymethyl)-1-methyl-5-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-6-oxo-1,6-dihydro-[3,4′-bipyridin]-2′-yl)-7,7-dimethyl-7,8-dihydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one as a BTK inhibitor BTK, SYK, LCK HRH4 2055/4885HRH3 3060/4885RAB9A 2713/4885
US-20100029737-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, ACHE HRH4 1801/4885HRH3 1384/4885RAB9A 2295/4885

“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.