SCHEMBL502773

SCHEMBL502773

CCc1nc2ncccc2c(=O)n1-c1ccc(OCCCN2CCC[C@H](C)C2)cc1.Cc1nc2ccncc2c(=O)n1-c1ccc(OCCCN2CCC[C@H](C)C2)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.70
KCNH2 Q12809 11/20 0.70
ADRA1A P35348 1/20 0.55

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
SCHEMBL16712433 0.96 HRH3 (0.64) HRH3KCNH2ADRA1A
SCHEMBL4485207 0.90 HRH3 (0.69) HRH3KCNH2ADRA1A
SCHEMBL2662165 0.90 HRH3 (0.79) HRH3KCNH2ADRA1A
Hydrochloric Acid SCHEMBL4469898 0.90 HRH3 (0.68) HRH3KCNH2ADRA1A
SCHEMBL502317 0.87 HRH3 (0.79) HRH3KCNH2ADRA1A
Hydrochloric Acid SCHEMBL4471965 0.86 HRH3 (0.78) HRH3KCNH2ADRA1A
SCHEMBL4465686 0.84 HRH3 (0.67) HRH3KCNH2ADRA1A
SCHEMBL4476652 0.84 HRH3 (0.79) HRH3KCNH2ADRA1A
SCHEMBL4474009 0.83 HRH3 (1.00) HRH3KCNH2ADRA1A
SCHEMBL4486506 0.83 HRH3 (1.00) 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 141 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2888005-B1 NOVEL AZABENZIMIDAZOLE HEXAHYDROFURO[3,2-B]FURAN DERIVATIVES MERCK SHARP & DOHME (US) 2019-04-03 EP disclosed
EP-2888008-B1 NOVEL AZABENZIMIDAZOLE TETRAHYDROFURAN DERIVATIVES MERCK SHARP & DOHME (US) 2018-12-26 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
WO-2008091631-A1 SUBSTITUTED AMINOPYRIMIDINES AS CHOLECYSTOKININ-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-07-31 WO disclosed
WO-2008073311-A2 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-06-19 WO disclosed
WO-2008051406-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
WO-2008051404-A2 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
WO-2008051405-A1 SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
US-20080085926-A1 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2008-04-10 US disclosed
WO-2008039418-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-04-03 WO disclosed
WO-2007136571-A1 PRO-DRUGS OF TERTIARY ALCOHOLS MERCK & CO., INC. (US) 2007-11-29 WO disclosed
WO-2007120718-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

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-20080085926-A1 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use GCGR, GLP1R, GPR119 HRH3 494/4885KCNH2 2388/4885ADRA1A 383/4885

“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.