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Sugi Predict / Compounds / SCHEMBL502180

SCHEMBL502180

SCHEMBL502180

CC(C)(F)[C@H](c1cc(F)cc(-c2n[nH]c(=O)o2)c1)C1CN([C@@H](c2ccc(C#N)cc2)c2cccc(C#N)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 16/20 0.39
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MGLL Q99685 1/20 0.31
▸ KDM4D Q6B0I6 1/20 0.31

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
SCHEMBL502181 1.00 NOTUM (0.39) NOTUMALDH1A1MEN1POLBKMT2A
SCHEMBL3841466 1.00 NOTUM (0.39) NOTUMALDH1A1MEN1POLBKMT2A
SCHEMBL502501 0.95 NOTUM (0.35) NOTUMALDH1A1MEN1POLBKMT2A
SCHEMBL502502 0.95 NOTUM (0.35) NOTUMALDH1A1MEN1POLBKMT2A
SCHEMBL4255728 0.95 NOTUM (0.35) NOTUMALDH1A1MEN1POLBKMT2A
SCHEMBL502155 0.94 NOTUM (0.41) NOTUM
SCHEMBL502154 0.94 NOTUM (0.41) NOTUM
SCHEMBL3481434 0.94 NOTUM (0.41) NOTUM
SCHEMBL3835696 0.94 NOTUM (0.41) NOTUM
SCHEMBL501983 0.94 NOTUM (0.42) 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 131 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-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-2888007-B1 BENZIMIDAZOLE TETRAHYDROFURAN 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
EP-2888008-B1 NOVEL AZABENZIMIDAZOLE TETRAHYDROFURAN DERIVATIVES MERCK SHARP & DOHME (US) 2018-12-26 — — EP disclosed
US-9868733-B2 Azabenzimidazole tetrahydrofuran derivatives MERCK SHARP & DOHME CORP. (US) 2018-01-16 — — US disclosed
US-20090118300-A1 Substituted Imidazole 4-Carboxamides as Cholecystokinin-1 Receptor Modulators MERCK SHARP & DOHME LLC 2009-05-07 — — US disclosed
WO-2009051706-A2 PEPTIDE COMPOUNDS FOR TREATING OBESITY AND INSULIN RESISTANCE MERCK & CO., INC. (US) 2009-04-23 — — WO 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
WO-2008094476-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
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 (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-20090118300-A1 Substituted Imidazole 4-Carboxamides as Cholecystokinin-1 Receptor Modulators CCKAR, CCKBR, GPR119 NOTUM 1440/4885ALDH1A1 4257/4885MEN1 3251/4885
US-20080269279-A1 Substituted furo[2,3-B] pyridine derivatives as cannabinoid-1 receptor modulators CNR1, CNR2, FAAH NOTUM 1690/4885ALDH1A1 2727/4885MEN1 200/4885
US-20070123505-A1 Heterocycle-substituted 3-alkyl azetidine derivatives CNR1, CNR2, FAAH NOTUM 2413/4885ALDH1A1 2197/4885MEN1 212/4885
US-20080085926-A1 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use GCGR, GLP1R, GPR119 NOTUM 2351/4885ALDH1A1 4625/4885MEN1 1614/4885
US-20080207666-A1 Substituted pyrano[2,3-B]pyridine derivatives as cannabinoid-1 receptor modulators CNR1, CNR2, FAAH NOTUM 3054/4885ALDH1A1 3086/4885MEN1 290/4885

“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.