SCHEMBL502154

SCHEMBL502154

CC(C)(F)[C@H](c1cc(F)cc(C#N)c1)C1CN([C@@H](c2ccc(C#N)cc2)c2cccc(-c3n[nH]c(=O)o3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 20/20 0.41

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
SCHEMBL502155 1.00 NOTUM (0.41) NOTUM
SCHEMBL3481434 1.00 NOTUM (0.41) NOTUM
SCHEMBL3835696 1.00 NOTUM (0.41) NOTUM
SCHEMBL501983 0.97 NOTUM (0.42) NOTUM
SCHEMBL3482166 0.97 NOTUM (0.42) NOTUM
SCHEMBL501984 0.97 NOTUM (0.42) NOTUM
SCHEMBL501975 0.95 NOTUM (0.39) NOTUM
SCHEMBL501974 0.95 NOTUM (0.39) NOTUM
SCHEMBL3946497 0.95 NOTUM (0.39) NOTUM
SCHEMBL15475242 0.94 NOTUM (0.37) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7906652-B2 Heterocycle-substituted 3-alkyl azetidine derivatives MERCK SHARP & DOHME CORP. (US) 2011-03-15 US claimed
US-20070123505-A1 Heterocycle-substituted 3-alkyl azetidine derivatives MERCK SHARP & DOHME CORP. 2007-05-31 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-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-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
US-9868733-B2 Azabenzimidazole tetrahydrofuran derivatives MERCK SHARP & DOHME CORP. (US) 2018-01-16 US disclosed
EP-3243385-A1 NOVEL CYCLIC AZABENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2017-11-15 EP disclosed
WO-2009051706-A2 PEPTIDE COMPOUNDS FOR TREATING OBESITY AND INSULIN RESISTANCE MERCK & CO., INC. (US) 2009-04-23 WO disclosed
US-20080269279-A1 Substituted furo[2,3-B] pyridine derivatives as cannabinoid-1 receptor modulators MERCK SHARP & DOHME CORP. 2008-10-30 US 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-2008094476-A1 SUBSTITUTED PYRANO [2, 3 - B] PYRIDINE DERIVATIVES AS CANNABINOID -1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-08-07 WO disclosed
WO-2008094473-A1 SUBSTITUTED PYRANO[2,3-B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-08-07 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
US-20070244048-A1 Neuromedin U receptor agonists and uses thereof MERCK SHARP & DOHME CORP. 2007-10-18 US disclosed
US-20070123505-A1 Heterocycle-substituted 3-alkyl azetidine derivatives MERCK SHARP & DOHME CORP. 2007-05-31 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 (4 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-20080269279-A1 Substituted furo[2,3-B] pyridine derivatives as cannabinoid-1 receptor modulators CNR1, CNR2, FAAH NOTUM 1690/4885
US-20070123505-A1 Heterocycle-substituted 3-alkyl azetidine derivatives CNR1, CNR2, FAAH NOTUM 2413/4885
US-20080085926-A1 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use GCGR, GLP1R, GPR119 NOTUM 2351/4885
US-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators CNR1, CNR2, FAAH NOTUM 3054/4885

“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.