SCHEMBL502228

SCHEMBL502228

COc1cccc2nc(C)n(-c3ccc(OCCCN4CCC[C@H](C)C4)cc3)c(=O)c12

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.81
KCNH2 Q12809 12/20 0.81
ADRA1A P35348 1/20 0.56

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
SCHEMBL15911951 1.00 HRH3 (0.81) HRH3KCNH2ADRA1A
SCHEMBL12150069 0.95 HRH3 (0.77) HRH3KCNH2ADRA1A
Hydrochloric Acid SCHEMBL4467975 0.91 HRH3 (0.67) HRH3KCNH2
SCHEMBL4476992 0.90 HRH3 (0.70) HRH3KCNH2ADRA1A
SCHEMBL4531358 0.90 HRH3 (1.00) HRH3KCNH2ADRA1A
SCHEMBL4462653 0.89 HRH3 (0.80) HRH3KCNH2ADRA1A
SCHEMBL3808868 0.89 HRH3 (0.68) HRH3KCNH2ADRA1A
SCHEMBL4481578 0.89 HRH3 (0.98) HRH3KCNH2ADRA1A
SCHEMBL4474087 0.89 HRH3 (0.98) HRH3KCNH2ADRA1A
SCHEMBL4463125 0.86 HRH3 (0.75) HRH3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP claimed
US-8268842-B2 Fused ring 4-oxopyrimidine derivative MSD K.K. (JP) 2012-09-18 US claimed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US claimed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP claimed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US claimed
EP-3924343-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2021-12-22 EP disclosed
EP-2906040-B1 NOVEL BENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES MERCK SHARP & DOHME (US) 2021-02-17 EP disclosed
EP-3243385-B1 NOVEL CYCLIC AZABENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
EP-3055288-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-12-16 EP disclosed
EP-2880028-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
EP-2887807-B1 BENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES USEFUL AS AMP-ACTIVATED PROTEIN KINASE ACTIVATORS MERCK SHARP & DOHME (US) 2019-09-18 EP disclosed
EP-2888007-B1 BENZIMIDAZOLE TETRAHYDROFURAN DERIVATIVES USEFUL AS AMP-ACTIVATED PROTEIN KINASE ACTIVATORS MERCK SHARP & DOHME (US) 2019-09-18 EP disclosed
WO-2007120655-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-10-25 WO disclosed
WO-2007120718-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-10-25 WO disclosed
WO-2007120688-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-10-25 WO disclosed
US-20070244048-A1 Neuromedin U receptor agonists and uses thereof MERCK SHARP & DOHME CORP. 2007-10-18 US disclosed
WO-2007064566-A2 HETEROCYCLE-SUBSTITUTED 3-ALKYL AZETIDINE DERIVATIVES MERCK & CO., INC. (US) 2007-06-07 WO disclosed
WO-2007041052-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-04-12 WO disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 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 (2 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-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 HRH3 3/4885KCNH2 299/4885ADRA1A 100/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 HRH3 3/4885KCNH2 299/4885ADRA1A 100/4885

“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.