SCHEMBL2520140

SCHEMBL2520140

CCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)C(c1ccc(Cl)cc1)c1ccc2cc(OC)ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GCGR P47871 20/20 0.57
GIPR P48546 5/20 0.54
VIPR2 P41587 3/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C8 P10632 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2B6 P20813 1/20 0.54
VIPR1 P32241 1/20 0.54
DUSP2 Q05923 1/20 0.54
GLP1R P43220 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL13344427 0.92 GCGR (0.53) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL2518306 0.91 GCGR (0.55) GCGRGIPR
SCHEMBL3467312 0.90 GCGR (0.49) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL2522962 0.90 GCGR (0.49) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL12212649 0.89 GCGR (0.61) GCGRGIPR
SCHEMBL2669963 0.88 GCGR (0.55) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL2522279 0.86 GCGR (0.47) GCGRGIPRVIPR2CYP1A2CYP3A4
SCHEMBL12212652 0.85 GCGR (0.55) GCGRGIPR
SCHEMBL2520463 0.85 GCGR (0.61) GCGRGIPR
SCHEMBL2520942 0.85 KDM4E (0.49) CYP1A2CYP2C9

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-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-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-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 (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-20110251248-A1 GLUCAGON RECEPTOR ANTAGONIST COMPOUNDS GLP1R, GCGR, GPR119 GCGR 2/4885GIPR 4/4885VIPR2 27/4885

“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.