SCHEMBL5094902

SCHEMBL5094902

O=C(O)CCNC(=O)c1ccc(CCc2cc(-c3ccc(OC(F)(F)F)cc3)ccc2Br)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 17/20 0.58
GIPR P48546 3/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C8 P10632 1/20 0.54
CYP2C9 P11712 1/20 0.54
KCNH2 Q12809 1/20 0.54
TRPV1 Q8NER1 3/20 0.51

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
SCHEMBL2667041 0.89 GCGR (0.57) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2667079 0.89 GCGR (0.57) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2666920 0.87 GCGR (0.54) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL5093232 0.85 AURKA (0.49) GCGRGIPRTRPV1
SCHEMBL2666892 0.85 GCGR (0.58) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2657383 0.85 GCGR (0.52) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL5089993 0.83 CCR6 (0.53) GCGRCYP3A4CYP2C9TRPV1
SCHEMBL2660714 0.83 GCGR (0.51) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL2667070 0.83 GCGR (0.54) GCGRGIPRCYP3A4CYP2C8CYP2C9
SCHEMBL5093155 0.82 TRPV1 (0.59) GCGRGIPRCYP3A4CYP2C8CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318760-B2 Type 2 diabetes, atherosclerosis; compounds are N-(2-carboxyethyl)benzamides or N-tetrazolyl derivatives of benzamides; glucagon antagonists MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use MERCK & CO., INC. (US) 2008-07-03 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 (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-20080161347-A1 Substituted Aryl and Heteroaryl Derivatives, Compositions Containing Such Compounds and Methods of Use GPR119, PNLIP, SLC5A2 GCGR 81/4885GIPR 124/4885CYP3A4 48/4885

“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.