SCHEMBL2252023

SCHEMBL2252023

O=C(O)c1ccc(Cc2cc(-c3ccc(OC(F)(F)F)cc3)nn2C2CCCCC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCGR P47871 14/20 0.77
GIPR P48546 5/20 0.60
DDHD2 O94830 1/20 0.45
DAGLB Q8NCG7 1/20 0.42
DAGLA Q9Y4D2 1/20 0.42
SSTR5 P35346 1/20 0.42
IDH1 O75874 2/20 0.41
P2RX3 P56373 1/20 0.41

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
SCHEMBL2667494 0.92 GCGR (0.73) GCGRGIPRDDHD2DAGLBDAGLA
SCHEMBL2667522 0.87 GCGR (1.00) GCGRGIPR
SCHEMBL2252928 0.86 GCGR (0.66) GCGRGIPRDDHD2DAGLBDAGLA
SCHEMBL9071590 0.86 GCGR (0.78) GCGRGIPR
SCHEMBL2667495 0.84 GCGR (0.70) GCGRGIPRDDHD2
SCHEMBL2250289 0.84 GCGR (0.63) GCGRGIPRDDHD2IDH1
SCHEMBL2252133 0.83 GCGR (0.77) GCGRGIPRDDHD2DAGLBDAGLA
SCHEMBL2667893 0.83 GCGR (1.00) GCGRGIPR
SCHEMBL12360097 0.83 GCGR (0.73) GCGRGIPR
SCHEMBL2251811 0.83 GCGR (0.76) GCGRGIPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989475-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2011-08-02 US disclosed
EP-1590336-B1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2010-12-01 EP disclosed
US-20090215825-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2009-08-27 US disclosed
US-7572922-B2 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK & CO., INC. (US) 2009-08-11 US disclosed
US-20060084681-A1 Substituted pyrazoles, compositions containing such compounds and methods of use MERCK SHARP & DOHME LLC 2006-04-20 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 (2 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-20090215825-A1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GLP1R, GCGR, GPR119 GCGR 2/4885GIPR 4/4885DDHD2 4469/4885
US-20060084681-A1 Substituted pyrazoles, compositions containing such compounds and methods of use GLP1R, GCGR, GPR119 GCGR 2/4885GIPR 4/4885DDHD2 4469/4885

“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.