SCHEMBL1966239

SCHEMBL1966239

CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccc2cc(OC(F)(F)F)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 15/20 1.00
VIPR2 P41587 4/20 0.83
CYP1A2 P05177 1/20 0.83
CYP3A4 P08684 1/20 0.83
CYP2C8 P10632 1/20 0.83
CYP2C9 P11712 1/20 0.83
CYP2B6 P20813 1/20 0.83
VIPR1 P32241 1/20 0.83
DUSP2 Q05923 1/20 0.83
GLP1R P43220 2/20 0.79
KCNH2 Q12809 1/20 0.68

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
SCHEMBL827984 1.00 GCGR (1.00) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL825813 1.00 GCGR (1.00) GCGRGIPRVIPR2CYP1A2CYP3A4
Mk-0893 SCHEMBL2355321 0.91 GCGR (1.00) GCGRGIPRVIPR2CYP1A2CYP3A4
Mk-0893 SCHEMBL675777 0.91 GCGR (1.00) GCGRGIPRVIPR2CYP1A2CYP3A4
Mk-0893 SCHEMBL29363684 0.91 GCGR (1.00) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL2667460 0.87 GCGR (1.00) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL9071080 0.85 GCGR (1.00) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL13644751 0.85 GCGR (0.88) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL2644669 0.83 GCGR (0.82) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL2667510 0.83 GCGR (0.84) GCGRGIPRVIPR2CYP1A2CYP3A4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102272136-B Aminotetrahydropyrans as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME 2015-01-14 CN disclosed
EP-2358717-A1 Aminotetrahydropyrans as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed
EP-2350054-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Canada Inc. (CA) 2011-08-03 EP disclosed
EP-2350097-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Frosst Canada Ltd. (CA) 2011-08-03 EP disclosed
EP-2334666-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE Merck Canada Inc. (CA) 2011-06-22 EP disclosed
WO-2010056708-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME CORP. (US) 2010-05-20 WO disclosed
EP-2178534-A1 SOLUBLE EPOXIDE HYDROLASE INHIBITORS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Sharp & Dohme Corp. (US) 2010-04-28 EP disclosed
WO-2010043052-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-04-22 WO disclosed
WO-2010037225-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-04-08 WO disclosed
WO-2010025553-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-03-11 WO disclosed
US-7598285-B2 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2009-10-06 US disclosed
US-7598285-B2 Pyrazole derivatives, compositions containing such compounds and methods of use MERCK & CO., INC (US) 2009-10-06 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-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

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-20050272794-A1 Pyrazole derivatives, compositions containing such compounds and methods of use PC, GOT2, PNLIP GCGR 188/4885GIPR 205/4885VIPR2 1017/4885

“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.