SCHEMBL1765683

SCHEMBL1765683

CC(C)c1ccc(-c2ccc(O)cc2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 9/20 0.49
AR P10275 1/20 0.47
ESR1 P03372 8/20 0.43
CYP19A1 P11511 1/20 0.42
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ERBB2 P04626 1/20 0.39
APP P05067 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MIF P14174 1/20 0.38
ERN1 O75460 1/20 0.38
ESRRB O95718 1/20 0.37
ESRRA P11474 1/20 0.37
MCL1 Q07820 1/20 0.37
CASR P41180 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
SCHEMBL1532431 0.78 ESR2 (0.61) ESR2ARESR1CYP19A1MAOA
SCHEMBL1765495 0.76 ESR2 (0.61) ESR2ESR1MAOAMAOBAPP
SCHEMBL24838568 0.76 ESR2 (0.59) ESR2ERBB2CYP3A4
SCHEMBL17707901 0.75 ESR1 (0.50) ESR2ARESR1APPCYP3A4
SCHEMBL21180012 0.73 ERBB2 (0.46) ARMAOAMAOBERBB2ERN1
SCHEMBL4667162 0.73 ESR2 (0.59) ESR2ARESR1CYP19A1MAOA
SCHEMBL13748783 0.72 AR (0.42) ESR2ARESR1APPCYP3A4
SCHEMBL10593081 0.72 TRPA1 (0.53) ESR2ESR1APPCYP3A4CYP2C9
SCHEMBL29634557 0.72 LMNA (0.50) ESR2ESR1APPCYP3A4CYP2C9
SCHEMBL2868070 0.72 LMNA (0.50) ESR2ESR1APPCYP3A4CYP2C9

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-8609892-B2 Glucagon receptor antagonists, preparation and therapeutic uses ELI LILLY AND COMPANY (US) 2013-12-17 US disclosed
US-20110124648-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2011-05-26 US disclosed
US-20100324140-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2010-12-23 US disclosed
US-7816557-B2 3-{4-[1-(4'-tert-butyl-2,6-dimethyl-biphenyl-4-yloxy)-4,4,4-trifluoro-butyl]-benzoylamino}-propionic acid; treat diabetic and other glucagon related metabolic disorders ELI LILLY AND COMPANY (US) 2010-10-19 US disclosed
EP-2159221-A1 Glucagon receptor antagonists, preparation and therapeutic uses Eli Lilly & Company (US) 2010-03-03 EP disclosed
EP-1758853-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2010-01-20 EP disclosed
US-20070249688-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses ELI LILLY AND COMPANY (US) 2007-10-25 US disclosed
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 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 (3 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-20110124648-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES GLP1R, GCGR, GIPR ESR2 211/4885AR 287/4885ESR1 236/4885
US-20070249688-A1 Glucagon Receptor Antagonists, Preparation and Therapeutic Uses GLP1R, GCGR, GIPR ESR2 211/4885AR 287/4885ESR1 236/4885
US-20100324140-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES GLP1R, GCGR, GIPR ESR2 211/4885AR 287/4885ESR1 236/4885

“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.