SCHEMBL2652385

SCHEMBL2652385

CCC(COc1cc(C)c(-c2ccc(C(C)(C)C)cc2)c(C)c1)c1ccc(C(=O)NCCC(=O)OC)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 4/20 0.43
VDR P11473 1/20 0.35
ACKR3 P25106 1/20 0.34
MAPT P10636 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ADCY6 O43306 1/20 0.31
ADCY3 O60266 1/20 0.31
ADCY9 O60503 1/20 0.31
ADCY5 O95622 1/20 0.31
ADCY8 P40145 1/20 0.31
ADCY7 P51828 1/20 0.31
ADCY2 Q08462 1/20 0.31
ADCY1 Q08828 1/20 0.31
ADCY4 Q8NFM4 1/20 0.31

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
SCHEMBL2655523 1.00 GCGR (0.43) GCGRVDRACKR3MAPTL3MBTL1
SCHEMBL2660618 0.93 GCGR (0.39) GCGRVDRMAPTSMN1; SMN2MCL1
SCHEMBL2653659 0.93 GCGR (0.39) GCGRVDRMAPTSMN1; SMN2MCL1
SCHEMBL2652220 0.92 GCGR (0.51) GCGRVDRACKR3ADCY6ADCY3
SCHEMBL2655387 0.92 GCGR (0.51) GCGRVDRACKR3ADCY6ADCY3
SCHEMBL12064613 0.88 MAPT (0.35) GCGRMAPTSMN1; SMN2LMNA
SCHEMBL2653808 0.86 GCGR (0.51) GCGRVDRACKR3MAPTSMN1; SMN2
SCHEMBL2658848 0.85 GCGR (0.46) GCGRMCL1PPARGPPARDPPARA
SCHEMBL2658849 0.85 GCGR (0.46) GCGRMCL1PPARGPPARDPPARA
SCHEMBL2654237 0.84 GCGR (0.49) GCGRVDRACKR3MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084489-B2 Glucagon receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2011-12-27 US disclosed
US-8084489-B2 Glucagon receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2011-12-27 US disclosed
US-20100137417-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2010-06-03 US disclosed
US-20100137417-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2010-06-03 US disclosed
EP-1856090-B1 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2009-10-14 EP disclosed
EP-1856090-B1 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2009-10-14 EP disclosed
EP-1856090-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-11-21 EP disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 WO disclosed
WO-2006086488-A2 SUBSTITUTED THIOPHENE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2006-08-17 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-20100137417-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR GCGR 2/4885VDR 559/4885ACKR3 181/4885

“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.