SCHEMBL2667959

SCHEMBL2667959

COc1ccc2cc(-c3cc(-c4cc(C(F)(F)F)ccc4Cl)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)cnc2c1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 20/20 0.73
GIPR P48546 13/20 0.73
VIPR2 P41587 4/20 0.71
GLP1R P43220 2/20 0.71
KCNH2 Q12809 1/20 0.71
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C8 P10632 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2B6 P20813 1/20 0.63
VIPR1 P32241 1/20 0.63
DUSP2 Q05923 1/20 0.63

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
SCHEMBL2667515 1.00 GCGR (0.73) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL13356597 0.93 GCGR (0.63) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL3251729 0.86 GCGR (0.83) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL2667512 0.86 GCGR (0.83) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL2794351 0.84 GCGR (0.87) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL2643172 0.84 GCGR (0.87) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL928959 0.84 GCGR (0.87) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL2645995 0.84 GCGR (1.00) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL2662897 0.84 GCGR (1.00) GCGRGIPRVIPR2GLP1RKCNH2
SCHEMBL826673 0.83 GCGR (1.00) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773330-B1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2010-05-26 EP disclosed
US-7625938-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-7625938-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-7625938-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20080108620-A1 Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-05-08 US disclosed
US-20080108620-A1 Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-05-08 US disclosed
US-20080108620-A1 Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-05-08 US disclosed
CN-1993124-A Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO INC (US) 2007-07-04 CN disclosed
WO-2006014618-A2 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2006-02-09 WO 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-20080108620-A1 Substituted Pyrazoles, Compositions Containing such Compounds and Methods of Use GLP1R, GCGR, GPR119 GCGR 2/4885GIPR 4/4885VIPR2 87/4885

“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.