SCHEMBL502384

SCHEMBL502384

CCc1nc2ncccc2c(=O)n1-c1ccc(OC2CCN(C3CCC3)CC2)cc1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.81
KCNH2 Q12809 6/20 0.60

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
SCHEMBL4485932 0.89 HRH3 (1.00) HRH3KCNH2
SCHEMBL4470194 0.87 HRH3 (0.96) HRH3KCNH2
SCHEMBL4472017 0.86 HRH3 (0.81) HRH3KCNH2
SCHEMBL502075 0.82 HRH3 (0.81) HRH3KCNH2
SCHEMBL4476355 0.82 HRH3 (0.81) HRH3KCNH2
SCHEMBL4465628 0.81 HRH3 (0.61) HRH3KCNH2
SCHEMBL2004888 0.81 HRH3 (0.75) HRH3KCNH2
SCHEMBL4474301 0.80 HRH3 (0.63) HRH3KCNH2
SCHEMBL4478962 0.80 HRH3 (0.64) HRH3KCNH2
SCHEMBL4470902 0.79 HRH3 (0.81) 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 103 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-3243385-B1 NOVEL CYCLIC AZABENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
US-9932311-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2018-04-03 US disclosed
US-9868733-B2 Azabenzimidazole tetrahydrofuran derivatives MERCK SHARP & DOHME CORP. (US) 2018-01-16 US disclosed
US-9593155-B2 Oxyntomodulin analogs MERCK SHARP & DOHME CORP. (US) 2017-03-14 US disclosed
US-9556193-B2 Benzimidazole hexahydrofuro[3,2-b]furan derivatives Merck Shapr & Dohme Corp. (US) 2017-01-31 US disclosed
US-9540364-B2 Benzimidazole tetrahydrofuran derivatives MERCK SHARP & DOHME CORP. (US) 2017-01-10 US disclosed
US-9527839-B2 Benzimidazole tetrahydropyran derivatives MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
EP-2010519-A2 SUBSTITUTED IMIDAZOLE 4-CARBOXAMIDES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-01-07 EP disclosed
US-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. 2008-08-28 US disclosed
WO-2008091631-A1 SUBSTITUTED AMINOPYRIMIDINES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-07-31 WO disclosed
EP-1940842-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-07-09 EP disclosed
WO-2007120655-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-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 299/4885
US-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators CNR1, CNR2, FAAH HRH3 48/4885KCNH2 2366/4885

“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.