SCHEMBL502213

SCHEMBL502213

COc1cc2c(=O)n(-c3ccc(OCCCN4CCCCC4)cc3)c(C)nc2cn1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.76
KCNH2 Q12809 17/20 0.76
ADRA1A P35348 1/20 0.70

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
SCHEMBL4474622 1.00 HRH3 (0.76) HRH3KCNH2ADRA1A
SCHEMBL502298 0.99 HRH3 (0.78) HRH3KCNH2ADRA1A
SCHEMBL4464770 0.91 HRH3 (0.69) HRH3KCNH2ADRA1A
SCHEMBL2243314 0.91 HRH3 (0.78) HRH3KCNH2ADRA1A
SCHEMBL4484422 0.90 HRH3 (0.70) HRH3KCNH2ADRA1A
SCHEMBL4475973 0.89 HRH3 (0.73) HRH3KCNH2ADRA1A
SCHEMBL4483885 0.88 HRH3 (0.73) HRH3KCNH2ADRA1A
SCHEMBL4462386 0.88 HRH3 (0.73) HRH3KCNH2ADRA1A
SCHEMBL4468342 0.88 HRH3 (0.98) HRH3KCNH2ADRA1A
SCHEMBL502103 0.88 HRH3 (0.98) HRH3KCNH2ADRA1A

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 186 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
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-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-2888007-B1 BENZIMIDAZOLE TETRAHYDROFURAN DERIVATIVES USEFUL AS AMP-ACTIVATED PROTEIN KINASE ACTIVATORS MERCK SHARP & DOHME (US) 2019-09-18 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-3068768-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2019-07-31 EP disclosed
EP-2888006-B1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES USEFUL AS AMPK ACTIVATORS MERCK SHARP & DOHME (US) 2019-04-24 EP disclosed
WO-2008039327-A2 METHOD OF TREATMENT USING FATTY ACID SYNTHESIS INHIBITORS MERCK & CO., INC. (US) 2008-04-03 WO disclosed
WO-2008024284-A2 SULFONYLATED PIPERAZINES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-02-28 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-2007109135-A2 NEUROMEDIN U RECEPTOR AGONISTS AND USES THEREOF MERCK & CO., INC. (US) 2007-09-27 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 (1 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

“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.