SCHEMBL2656546

SCHEMBL2656546

CC(C)CC(Nc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.52
EPHX2 P34913 2/20 0.50
GCGR P47871 4/20 0.47
RXRA P19793 3/20 0.46
RXRB P28702 3/20 0.46
RXRG P48443 1/20 0.46
SRD5A2 P31213 1/20 0.46
MEN1 O00255 1/20 0.43
MITF O75030 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
KIF11 P52732 1/20 0.42
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
ADCY6 O43306 1/20 0.41

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
SCHEMBL2662314 0.88 CA1 (0.51) NR1H4GCGRMAPTSMN1; SMN2KIF11
SCHEMBL2653872 0.86 GCGR (0.63) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL3276719 0.82 GCGR (0.52) GCGRADCY6ADCY3ADCY9ADCY5
SCHEMBL29157149 0.76 FFAR1 (0.52) GCGRMEN1KMT2AKIF11ADCY6
SCHEMBL2655296 0.76 GCGR (0.76) GCGR
SCHEMBL1765530 0.76 RXRA (0.49) NR1H4GCGRRXRARXRBRXRG
SCHEMBL27765959 0.75 NR1H4 (0.59) NR1H4EPHX2RXRARXRBRXRG
SCHEMBL2053275 0.75 SRD5A2 (0.77) NR1H4EPHX2RXRARXRBRXRG
SCHEMBL9951730 0.73 GCGR (0.65) GCGR
SCHEMBL9950967 0.73 GCG (0.53) EPHX2GCGR

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-1951661-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2012-08-08 EP disclosed
US-7696248-B2 Glucagon receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2010-04-13 US disclosed
US-20080300308-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY 2008-12-04 US disclosed
EP-1951661-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2008-08-06 EP disclosed
WO-2007106181-A2 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-09-20 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-20080300308-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR NR1H4 139/4885EPHX2 2409/4885GCGR 2/4885

“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.