SCHEMBL2232200

SCHEMBL2232200

CCOC(=O)c1ccc(CC(C)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.58
CA2 P00918 3/20 0.58
CA12 O43570 2/20 0.58
CA7 P43166 2/20 0.58
CA9 Q16790 2/20 0.58
CA14 Q9ULX7 2/20 0.58
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
LMNA P02545 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
MAOA P21397 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.54
HPGD P15428 4/20 0.50
HTT P42858 3/20 0.50
RAB9A P51151 3/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.47
RECQL P46063 1/20 0.47
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL571300 0.88 CA1 (0.59) CA1CA2CA12CA7CA9
SCHEMBL2232390 0.85 LMNA (0.59) CA1CA2CA12CA7CA9
SCHEMBL9368020 0.85 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL7216773 0.83 SMN1; SMN2 (0.55) CA1CA2CA12CA7CA9
SCHEMBL18256792 0.83 CA12 (0.54) CA1CA2CA12CA7CA9
SCHEMBL3956396 0.83 CA1 (0.54) CA1CA2CA12CA7CA9
SCHEMBL28759821 0.83 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL5708227 0.83 LMNA (0.61) CA1CA2CA12CA7CA9
SCHEMBL5177723 0.82 LOXL2 (0.59) CA1CA2CA12CA7CA9
SCHEMBL13417829 0.82 SMN1; SMN2 (0.54) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2350020-B1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-08-13 EP disclosed
EP-2350020-B1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2014-08-13 EP disclosed
EP-2549873-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE Merck Sharp & Dohme Corp. (US) 2013-01-30 EP disclosed
US-8361959-B2 Spiro-imidazolone derivatives as glucagon receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 US disclosed
US-8361959-B2 Spiro-imidazolone derivatives as glucagon receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 US disclosed
US-8361959-B2 Spiro-imidazolone derivatives as glucagon receptor antagonists MERCK SHARP & DOHME CORP. (US) 2013-01-29 US disclosed
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME CORP. 2013-01-10 US disclosed
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME CORP. 2013-01-10 US disclosed
US-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE MERCK SHARP & DOHME CORP. 2013-01-10 US disclosed
WO-2011119559-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE SCHERING CORPORATION (US) 2011-09-29 WO disclosed
WO-2011119559-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE SCHERING CORPORATION (US) 2011-09-29 WO disclosed
EP-2350020-A1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS Schering Corporation (US) 2011-08-03 EP disclosed
US-20110178007-A1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS SCHERING CORPORATION 2011-07-21 US disclosed
WO-2010039789-A1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2010-04-08 WO disclosed
WO-2010039789-A1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2010-04-08 WO disclosed
EP-1368295-A1 PROCESS FOR THE MANUFACTURE OF PHENYLACETIC ACID DERIVATIVES F. Hoffman-la Roche AG (CH) 2003-12-10 EP disclosed
WO-2002079134-A1 PROCESS FOR THE MANUFACTURE OF PHENYLACETIC ACID DERIVATIVES F. HOFFMANN-LA-ROCHE AG (CH) 2002-10-10 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 (2 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-20130012434-A1 NOVEL SPIRO IMIDAZOLONES AS GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE GLP1R, GCGR, GIPR CA1 4002/4885CA2 2119/4885CA12 4313/4885
US-20110178007-A1 SPIRO-IMIDAZOLONE DERIVATIVES AS GLUCAGON RECEPTOR ANTAGONISTS GLP1R, GCGR, GIPR CA1 4122/4885CA2 2262/4885CA12 4471/4885

“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.