SCHEMBL2647801

SCHEMBL2647801

O=C(O)CCNC(=O)c1ccc(C(=O)C(CC(=O)c2ccc(Oc3ccccc3)cc2)c2ccc(C3CCCCC3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 6/20 0.46
GCG P01275 1/20 0.43
CYP2D6 P10635 1/20 0.43
STAT3 P40763 3/20 0.42
APAF1 O14727 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP2 P08253 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HAO1 Q9UJM8 1/20 0.40
CTSS P25774 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2653731 0.92 HAO1 (0.46) GCGRCYP2D6APAF1HAO1SMN1; SMN2
SCHEMBL2647568 0.90 GCGR (0.45) GCGRGCGCYP2D6APAF1HAO1
SCHEMBL2660182 0.90 GCGR (0.45) GCGRGCGCYP2D6APAF1HAO1
SCHEMBL2648237 0.88 GCGR (0.58) GCGR
SCHEMBL2649512 0.88 GCGR (0.58) GCGR
SCHEMBL2647422 0.88 GCGR (0.58) GCGR
SCHEMBL2656204 0.88 GCGR (0.58) GCGR
SCHEMBL2654474 0.87 HAO1 (0.42) GCGRCYP2D6APAF1HAO1
SCHEMBL2647125 0.87 CYP2D6 (0.45) GCGRGCGCYP2D6APAF1POLB
SCHEMBL2646694 0.86 GCGR (0.49) GCGRCYP2D6APAF1HAO1

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
EP-1463715-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2004-10-06 EP disclosed
US-6762318-B2 CARBOXYLIC ACID OR TETRAZOLE DERIVATIZED SECONDARY AMIDES; ORAL ADMINISTRATION NOVO NORDISK A/S (DK) 2004-07-13 US disclosed
US-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents PFIZER INC 2003-12-25 US disclosed
WO-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 WO disclosed
WO-2003048109-A1 NOVEL GLUCAGON ANTAGONISTS NOVO NORDISK A/S (DK) 2003-06-12 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-20030236292-A1 Stimulant releasing glucose from liver cells; antidiabetic agents GPR119, GLP1R, GIPR GCGR 4/4885GCG 7/4885CYP2D6 2704/4885

“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.