SCHEMBL2646834

SCHEMBL2646834

COC(=O)C(CC1CCCC1)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 11/20 0.42
KCNH2 Q12809 1/20 0.42
EPHX2 P34913 1/20 0.39
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
AKT3 Q9Y243 1/20 0.39
CTSD P07339 2/20 0.38
FFAR1 O14842 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL2646483 0.91 TAS1R3 (0.43) KCNH2EPHX2CTSD
SCHEMBL2648102 0.87 KCNH2 (0.45) KCNH2CTSDSLC6A3
SCHEMBL2647603 0.85 APP (0.44) PDE2AKCNH2AKT1AKT2AKT3
SCHEMBL2645477 0.83 CTSD (0.44) KCNH2CTSD
SCHEMBL2649238 0.83 AKR1C3 (0.35) KCNH2CTSDSLC6A3
SCHEMBL2646762 0.82 KCNH2 (0.44) PDE2AKCNH2EPHX2AKT1AKT2
SCHEMBL2662490 0.82 KCNH2 (0.44) PDE2AKCNH2EPHX2AKT1AKT2
SCHEMBL2646128 0.82 KCNH2 (0.48) KCNH2
SCHEMBL2646652 0.81 KCNH2 (0.47) KCNH2SLC6A3
SCHEMBL29274096 0.81 SLC6A3 (0.49) KCNH2SLC6A3

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
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 US disclosed
US-7223868-B2 Such as 2-(3-chloro-phenyl)-3-cyclopentyl-N-thiazol-2-yl-propionamide which increases insulin secretion in treatment of type II diabetes HOFFMANN-LA ROCHE INC. (US) 2007-05-29 US disclosed
US-20050261503-A1 Heteroaromatic glucokinase activators BIZZARO FRED T 2005-11-24 US disclosed
US-6951945-B2 Heteroaromatic glucokinase activators HOFFMAN-LA ROCHE INC. (US) 2005-10-04 US disclosed
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP disclosed
US-20040014968-A1 Heteroaromatic glucokinase activators BIZZARRO FRED THOMAS (US) 2004-01-22 US disclosed
US-6610846-B1 Increase insulin secretion; type II diabetes; 2,3-Di-substituted N-heteroaromatic propionamides with 3- a phenyl group and 2- a methyl cycloalkyl ring; 3-cyclopentyl-2-(3,4-dichlorophenyl)-N-pyridazin-3-yl-propionamide HOFFMAN-LA ROCHE INC. 2003-08-26 US disclosed
US-6528543-B1 Glucokinase activating for treating type II diabetes; acylurea compound, phenylacetyl-substituted; 1-(2-(3-chloro-phenyl)-3cyclopentyl-propionyl)-3-methyl-urea HOFFMAN-LA ROCHE INC. 2003-03-04 US disclosed
EP-1169312-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-09 EP disclosed
US-6320050-B1 2-SUBSTITUTED PHENYL-3-CYCLOALKYL SUBSTITUTED N-HETEROAROMATIC PROPIONAMIDES; USED TO INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES. HOFFMANN-LA ROCHE INC. 2001-11-20 US disclosed
US-20010039344-A1 Heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. 2001-11-08 US disclosed
WO-2000058293-A2 GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-05 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 (4 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-20040014968-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK PDE2A 1527/4885KCNH2 1022/4885EPHX2 4244/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK PDE2A 1768/4885KCNH2 1062/4885EPHX2 4279/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK PDE2A 1527/4885KCNH2 1022/4885EPHX2 4244/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK PDE2A 1527/4885KCNH2 1022/4885EPHX2 4244/4885

“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.