SCHEMBL826673

SCHEMBL826673

COc1ccc2cc(-c3cc(-c4cc(Cl)ccc4Cl)nn3C(C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 20/20 1.00
GIPR P48546 14/20 1.00
VIPR2 P41587 4/20 1.00
GLP1R P43220 2/20 1.00
KCNH2 Q12809 1/20 1.00
CYP1A2 P05177 1/20 0.81
CYP3A4 P08684 1/20 0.81
CYP2C8 P10632 1/20 0.81
CYP2C9 P11712 1/20 0.81
CYP2B6 P20813 1/20 0.81
VIPR1 P32241 1/20 0.81
DUSP2 Q05923 1/20 0.81

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
Mk-0893 SCHEMBL29363684 0.89 GCGR (1.00) GCGRGIPRVIPR2GLP1RKCNH2
Mk-0893 SCHEMBL675777 0.89 GCGR (1.00) GCGRGIPRVIPR2GLP1RKCNH2
Mk-0893 SCHEMBL2355321 0.89 GCGR (1.00) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL19137241 0.87 GCGR (0.77) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL2645995 0.85 GCGR (1.00) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL2662897 0.85 GCGR (1.00) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL2667959 0.83 GCGR (0.73) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL2667515 0.83 GCGR (0.73) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL2642984 0.83 GCGR (0.78) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL2794351 0.83 GCGR (0.87) GCGRGIPRVIPR2GLP1RKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383869-B1 ARYL SULFONAMIDES AS BLT1 ANTAGONISTS MERCK SHARP & DOHME LLC (US) 2023-06-28 EP disclosed
EP-3177614-B1 FUSED BICYCLIC ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME (US) 2022-02-23 EP disclosed
EP-3177282-B1 ANTIDIABETIC BICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-06 EP disclosed
EP-3383388-B1 ARYL ACYLSULFONAMIDES AS BLT1 ANTAGONISTS MERCK SHARP & DOHME (US) 2021-04-14 EP disclosed
US-10968193-B2 Antidiabetic bicyclic compounds MERCK SHARP & DOHME CORP. (US) 2021-04-06 US disclosed
EP-3177285-B1 [5,6]-FUSED BICYCLIC ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-23 EP disclosed
US-10450309-B2 Aryl sulfonamides as BLT1 antagonists Merch Sharp & Dohme Corp. (US) 2019-10-22 US disclosed
US-10370368-B2 Aryl acylsulfonamides as BLT1 antagonists MERCK SHARP & DOHME CORP. (US) 2019-08-06 US disclosed
US-10336733-B2 Aryl acylsulfonamides as BLT1 antagonists Merk Sharp & Dohme Corp. (US) 2019-07-02 US disclosed
US-10131651-B2 [7,6]-fused bicyclic antidiabetic compounds MERCK SHARP & DOHME CORP. (US) 2018-11-20 US disclosed
US-20090176854-A1 N-[4-((1S)-1-{3-(3,5-Dichlorophenyl)-5-[6-(trifluoromethoxy)-2-naphthyl]-1H-pyrazol-1-yl}ethyl)benzoyl]- beta -alanine; type 2 diabetes, hyperglycemia, or insulin resistance MERCK SHARP & DOHME LLC 2009-07-09 US disclosed
WO-2009011872-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2009-01-22 WO disclosed
EP-1756064-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2008-05-14 EP disclosed
EP-1756064-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO INC (US) 2008-05-14 EP disclosed
EP-1756064-A2 PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE Merck & Co., Inc. (US) 2007-02-28 EP disclosed
WO-2005121097-A2 PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2005-12-22 WO disclosed
WO-2005121097-A2 PYRAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2005-12-22 WO disclosed
US-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2005-12-08 US disclosed
US-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2005-12-08 US disclosed
US-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2005-12-08 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 (7 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-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use PC, GOT2, PNLIP GCGR 188/4885GIPR 205/4885VIPR2 1017/4885
US-10968193-B2 Antidiabetic bicyclic compounds GPR119, GPR65, GLP1R GCGR 11/4885GIPR 10/4885VIPR2 193/4885
US-10131651-B2 [7,6]-fused bicyclic antidiabetic compounds GPR119, GPR27, GPR55 GCGR 12/4885GIPR 7/4885VIPR2 275/4885
US-20090176854-A1 N-[4-((1S)-1-{3-(3,5-Dichlorophenyl)-5-[6-(trifluoromethoxy)-2-naphthyl]-1H-pyrazol-1-yl}ethyl)benzoyl]- beta -alanine; type 2 diabetes, hyperglycemia, or insulin resistance GOT2, GOT1, IAPP GCGR 189/4885GIPR 177/4885VIPR2 2173/4885
US-10450309-B2 Aryl sulfonamides as BLT1 antagonists LTB4R2, LTB4R, LTC4S GCGR 338/4885GIPR 555/4885VIPR2 851/4885
US-10370368-B2 Aryl acylsulfonamides as BLT1 antagonists LTB4R2, LTB4R, LTC4S GCGR 413/4885GIPR 626/4885VIPR2 759/4885
US-10336733-B2 Aryl acylsulfonamides as BLT1 antagonists LTB4R2, LTB4R, LTC4S GCGR 431/4885GIPR 697/4885VIPR2 803/4885

“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.