SCHEMBL501975

SCHEMBL501975

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

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 18/20 0.39
MDM2 Q00987 2/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL501974 1.00 NOTUM (0.39) NOTUMMDM2CYP1A2
SCHEMBL3946497 1.00 NOTUM (0.39) NOTUMMDM2CYP1A2
SCHEMBL20853553 0.96 NOTUM (0.36) NOTUMMDM2CYP1A2
SCHEMBL3835696 0.95 NOTUM (0.41) NOTUM
SCHEMBL502154 0.95 NOTUM (0.41) NOTUM
SCHEMBL3481434 0.95 NOTUM (0.41) NOTUM
SCHEMBL502155 0.95 NOTUM (0.41) NOTUM
SCHEMBL502501 0.94 NOTUM (0.35) NOTUMMDM2
SCHEMBL4255728 0.94 NOTUM (0.35) NOTUMMDM2
SCHEMBL502502 0.94 NOTUM (0.35) NOTUMMDM2

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 130 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-20100081642-A1 CB-1 RECEPTOR MODULATOR PHARMACEUTICAL FORMULATIONS MERCK SHARP & DOHME CORP. 2010-04-01 US claimed
US-20070123505-A1 Heterocycle-substituted 3-alkyl azetidine derivatives MERCK SHARP & DOHME CORP. 2007-05-31 US claimed
EP-3243385-B1 NOVEL CYCLIC AZABENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
EP-2888006-B1 NOVEL AZABENZIMIDAZOLE TETRAHYDROPYRAN DERIVATIVES USEFUL AS AMPK ACTIVATORS MERCK SHARP & DOHME (US) 2019-04-24 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
EP-2677869-B1 NOVEL CYCLIC AZABENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME (US) 2017-11-08 EP 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-20090104210-A1 Peptide compounds for treating obesity and insulin resistance MERCK SHARP & DOHME CORP. 2009-04-23 US 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
US-20080085926-A1 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2008-04-10 US 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
US-20070123505-A1 Heterocycle-substituted 3-alkyl azetidine derivatives MERCK SHARP & DOHME CORP. 2007-05-31 US disclosed
US-20070123505-A1 Heterocycle-substituted 3-alkyl azetidine derivatives MERCK SHARP & DOHME CORP. 2007-05-31 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 (5 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 1690/4885MDM2 3829/4885CYP1A2 689/4885
US-20070123505-A1 Heterocycle-substituted 3-alkyl azetidine derivatives CNR1, CNR2, FAAH NOTUM 2413/4885MDM2 3968/4885CYP1A2 433/4885
US-20080085926-A1 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use GCGR, GLP1R, GPR119 NOTUM 2351/4885MDM2 3617/4885CYP1A2 1996/4885
US-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators CNR1, CNR2, FAAH NOTUM 3054/4885MDM2 3602/4885CYP1A2 665/4885
US-20100081642-A1 CB-1 RECEPTOR MODULATOR PHARMACEUTICAL FORMULATIONS CNR1, CNR2, GPBAR1 NOTUM 1240/4885MDM2 3678/4885CYP1A2 368/4885

“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.