SCHEMBL2649709

SCHEMBL2649709

O=C(Nc1ccccn1)[C@H](CC1CCCCC1)N1C(=O)NC(CC2CCCCC2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GCK P35557 9/20 0.51
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CDK1 P06493 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
ROCK2 O75116 1/20 0.39

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
SCHEMBL6163722 1.00 GCK (0.51) GCKKDM4EALDH1A1CDK1GSK3A
SCHEMBL2648770 1.00 GCK (0.51) GCKKDM4EALDH1A1CDK1GSK3A
SCHEMBL6162187 0.85 GCK (0.55) GCK
SCHEMBL6164423 0.85 GCK (0.53) GCK
SCHEMBL2648408 0.85 GCK (0.55) GCK
SCHEMBL2648783 0.85 GCK (0.53) GCK
SCHEMBL6164904 0.85 GCK (0.53) GCK
SCHEMBL2650438 0.85 GCK (0.55) GCK
SCHEMBL2649995 0.82 GCK (0.46) GCK
SCHEMBL6163804 0.82 GCK (0.46) GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1280801-B1 HYDANTOIN-CONTAINING GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-09-07 EP claimed
US-6583288-B2 (S,S)-2-((2-(4-(cyclohexyl)methyl-2,5-dioxoimidazolidin-1-yl)-3 -cyclopentylpropanoyl) amino)thiazole-4-carboxylic acid, methyl ester for example; for treatment of diabetes HOFFMAN-LA ROCHE INC. 2003-06-24 US claimed
EP-1280801-A2 HYDANTOIN-CONTAINING GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-05 EP claimed
US-20010056191-A1 Hydantoin-containing glucokinase activators HOFFMANN-LA ROCHE INC. 2001-12-27 US claimed
WO-2001083478-A2 HYDANTOIN-CONTAINING GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 WO claimed
EP-1280801-B1 HYDANTOIN-CONTAINING GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-09-07 EP disclosed
US-6784298-B2 2-((3-CYCLOHEXYL-2-(2,5-DIOXO-4-(THIOPHEN-2-YL)METHYLIMIDA-ZOL IDIN-1-YL)PROPANOYL)AMINO) THIAZOLE-4-CARBOXYLIC ACID METHYL ESTER, E.G.; ANTIDIABETIC AGENTS; HYPOGLYCEMIC AGENTS; A GLUCOSE SENSOR IN BETA-CELLS AND HEPATOCYTES HOFFMANN-LA ROCHE INC. 2004-08-31 US disclosed
US-20030225286-A1 Hydantoin-containing glucokinase activators GOODNOW ROBERT ALAN (US) 2003-12-04 US disclosed
US-6583288-B2 (S,S)-2-((2-(4-(cyclohexyl)methyl-2,5-dioxoimidazolidin-1-yl)-3 -cyclopentylpropanoyl) amino)thiazole-4-carboxylic acid, methyl ester for example; for treatment of diabetes HOFFMAN-LA ROCHE INC. 2003-06-24 US disclosed
EP-1280801-A2 HYDANTOIN-CONTAINING GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-02-05 EP disclosed
US-20010056191-A1 Hydantoin-containing glucokinase activators HOFFMANN-LA ROCHE INC. 2001-12-27 US disclosed
WO-2001083478-A2 HYDANTOIN-CONTAINING GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-08 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-20030225286-A1 Hydantoin-containing glucokinase activators GCK, GCKR, HK2 GCK 1/4885KDM4E 3409/4885ALDH1A1 3307/4885
US-20010056191-A1 Hydantoin-containing glucokinase activators GCK, GCKR, HK2 GCK 1/4885KDM4E 3409/4885ALDH1A1 3307/4885

“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.