SCHEMBL2654344

SCHEMBL2654344

O=C(O)CCNC(=O)c1cccc(N(Cc2cccc(OC(F)(F)F)c2)C(=O)Oc2cccc(-c3ccccc3)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 10/20 0.47
MAPK14 Q16539 1/20 0.44
GIPR P48546 3/20 0.43
GLP1R P43220 2/20 0.43
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
MME P08473 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.41
CHRM3 P20309 1/20 0.41
NAMPT P43490 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
CETP P11597 1/20 0.40

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
SCHEMBL2652571 0.95 GCGR (0.53) GCGRMAPK14GIPRGLP1RROCK2
SCHEMBL2653047 0.93 GCGR (0.50) GCGRGIPRGLP1RNR1H4
SCHEMBL2654481 0.92 GCGR (0.51) GCGRMAPK14GIPRGLP1RROCK2
SCHEMBL2653622 0.90 GCGR (0.51) GCGRMAPK14GIPRGLP1RROCK2
SCHEMBL2656208 0.88 GCGR (0.54) GCGRGIPRGLP1R
SCHEMBL2656385 0.87 GCGR (0.49) GCGRMAPK14GIPRGLP1RROCK2
SCHEMBL2655070 0.87 GCGR (0.53) GCGRMAPK14GIPRGLP1RROCK2
SCHEMBL2659710 0.86 MAPK14 (0.43) GCGRMAPK14GIPRGLP1RTRPM8
SCHEMBL2659173 0.86 GCGR (0.59) GCGRGIPRGLP1R
SCHEMBL2654715 0.85 GCGR (0.55) GCGRMAPK14GIPRGLP1RROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040152750-A1 Novel glucagon antagonists NOVO NORDISK A/S (DK) 2004-08-05 US disclosed
WO-2004056763-A2 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-08 WO disclosed
WO-2004056763-A2 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-07-08 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-20040152750-A1 Novel glucagon antagonists GLP1R, GCGR, GIPR GCGR 2/4885MAPK14 1428/4885GIPR 3/4885

“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.