SCHEMBL2525872

SCHEMBL2525872

CCC[C@H](c1ccc(C(=O)NCCC(=O)OCC)cc1)[C@@H](O)c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 8/20 0.49
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
HSP90AA1 P07900 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL2669997 1.00 GCGR (0.49) GCGRMAPTSMN1; SMN2HSP90AA1KDM4E
SCHEMBL2655824 0.87 GCGR (0.50) GCGRMAPTSMN1; SMN2HSP90AA1KDM4E
SCHEMBL2669962 0.85 GCGR (0.47) GCGRMAPTSMN1; SMN2HSP90AA1KDM4E
SCHEMBL16693881 0.85 GCGR (0.49) GCGRMAPTSMN1; SMN2EPHX2
SCHEMBL2658923 0.84 GCGR (0.45) GCGRMAPTSMN1; SMN2HSP90AA1KDM4E
SCHEMBL11901113 0.83 MAPT (0.52) GCGRMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL11962701 0.83 MAPT (0.52) GCGRMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL19922886 0.82 SMN1; SMN2 (0.47) MAPTSMN1; SMN2HSP90AA1KDM4EALDH1A1
SCHEMBL12212650 0.81 GCGR (0.50) GCGRMAPTHSP90AA1
SCHEMBL19923005 0.81 SMN1; SMN2 (0.46) MAPTSMN1; SMN2HSP90AA1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8809579-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2014-08-19 US disclosed
US-8809579-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2014-08-19 US disclosed
US-8809579-B2 Glucagon receptor antagonist compounds, compositions containing such compounds and methods of use MERCK SHARP & DOHME CORP. (US) 2014-08-19 US disclosed
US-8445538-B2 Glucagon receptor antagonist compounds MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-8445538-B2 Glucagon receptor antagonist compounds MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-8445538-B2 Glucagon receptor antagonist compounds MERCK SHARP & DOHME CORP. (US) 2013-05-21 US disclosed
US-20110312911-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. 2011-12-22 US disclosed
US-20110312911-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. 2011-12-22 US disclosed
US-20110312911-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. 2011-12-22 US disclosed
US-20110251248-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2011-10-13 US disclosed
US-20110251248-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2011-10-13 US disclosed
US-20110251248-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS MERCK SHARP & DOHME LLC 2011-10-13 US disclosed
WO-2010098948-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS, COMPOSITIONS CONTAININ SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2010-09-02 WO disclosed
WO-2010071750-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-06-24 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 (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-20110251248-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS GLP1R, GCGR, GPR119 GCGR 2/4885MAPT 4565/4885SMN1; SMN2 2876/4885
US-20110312911-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.