SCHEMBL2645898

SCHEMBL2645898

O=C(CC(C(=O)c1ccc(C(=O)NC[C@@H](O)C(=O)O)cc1)c1ccc(C2CCCCC2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.46
GIPR P48546 8/20 0.46
APAF1 O14727 1/20 0.44
HAO1 Q9UJM8 1/20 0.41
BCL2L1 Q07817 2/20 0.41
MCL1 Q07820 2/20 0.41
PRMT5 O14744 1/20 0.40
TAOK1 Q7L7X3 1/20 0.38
TAOK3 Q9H2K8 1/20 0.38
PGR P06401 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SERPINE1 P05121 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL2645893 1.00 GCGR (0.46) GCGRGIPRAPAF1HAO1BCL2L1
SCHEMBL2648952 0.90 GCGR (0.48) GCGRGIPRAPAF1HAO1BCL2L1
SCHEMBL2648950 0.90 GCGR (0.48) GCGRGIPRAPAF1HAO1BCL2L1
SCHEMBL6916484 0.88 GCGR (0.53) GCGRGIPRAPAF1HAO1BCL2L1
SCHEMBL6916489 0.88 GCGR (0.53) GCGRGIPRAPAF1HAO1BCL2L1
SCHEMBL2647568 0.86 GCGR (0.45) GCGRAPAF1HAO1DRD2DRD4
SCHEMBL2660182 0.86 GCGR (0.45) GCGRAPAF1HAO1DRD2DRD4
SCHEMBL2665144 0.85 GCGR (0.51) GCGRGIPRAPAF1HAO1BCL2L1
SCHEMBL2645901 0.84 APAF1 (0.43) APAF1HAO1BCL2L1MCL1PGR
SCHEMBL2665061 0.82 GCGR (0.55) GCGRGIPRAPAF1HAO1BCL2L1

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 4/4885GIPR 3/4885APAF1 1486/4885

“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.