SCHEMBL2655824

SCHEMBL2655824

CCCC(c1ccc(C(=O)NCCC(=O)OCC)cc1)C(C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.50
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSP90AA1 P07900 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GCG P01275 1/20 0.42

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
SCHEMBL2662272 0.92 GCGR (0.49) GCGRSMN1; SMN2GCG
SCHEMBL2658923 0.88 GCGR (0.45) GCGRMAPTSMN1; SMN2HSP90AA1KDM4E
SCHEMBL2669997 0.87 GCGR (0.49) GCGRMAPTSMN1; SMN2HSP90AA1KDM4E
SCHEMBL2525872 0.87 GCGR (0.49) GCGRMAPTSMN1; SMN2HSP90AA1KDM4E
SCHEMBL19730840 0.85 GCGR (0.49) GCGRMAPTSMN1; SMN2
SCHEMBL19730839 0.85 GCGR (0.49) GCGRMAPTSMN1; SMN2
SCHEMBL19730864 0.85 GCGR (0.49) GCGRMAPTSMN1; SMN2
SCHEMBL19730841 0.85 GCGR (0.49) GCGRMAPTSMN1; SMN2
SCHEMBL19730759 0.85 GCGR (0.49) GCGRMAPTSMN1; SMN2
SCHEMBL19730758 0.85 GCGR (0.49) GCGRMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324384-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2012-12-04 US disclosed
US-8324384-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2012-12-04 US disclosed
US-8324384-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2012-12-04 US disclosed
US-20110306624-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110306624-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110306624-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
WO-2010093535-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2010-08-19 WO disclosed
WO-2010093535-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2010-08-19 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-20110306624-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE GCGR, GLP1R, GPR119 GCGR 1/4885MAPT 4554/4885SMN1; SMN2 3414/4885

“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.