SCHEMBL2646483

SCHEMBL2646483

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
TAS1R2 Q8TE23 2/20 0.43
CTSD P07339 5/20 0.43
EPHX1 P07099 1/20 0.41
KCNN4 O15554 3/20 0.41
KCNH2 Q12809 1/20 0.40
ACACB O00763 2/20 0.38
TRPV1 Q8NER1 1/20 0.38
SCN8A Q9UQD0 1/20 0.37
EPHX2 P34913 1/20 0.37
AKR1B10 O60218 1/20 0.37
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 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
SCHEMBL2646834 0.91 PDE2A (0.42) CTSDKCNH2EPHX2
SCHEMBL2649238 0.88 AKR1C3 (0.35) CTSDEPHX1KCNH2AKR1B10AKR1C4
SCHEMBL2648102 0.87 KCNH2 (0.45) TAS1R3TAS1R1TAS1R2CTSDKCNH2
SCHEMBL2646133 0.85 AKR1C3 (0.44) TAS1R3TAS1R1TAS1R2CTSDEPHX1
SCHEMBL2646128 0.84 KCNH2 (0.48) KCNH2
SCHEMBL2646312 0.84 EPHX1 (0.51) TAS1R3TAS1R1TAS1R2CTSDEPHX1
SCHEMBL2646652 0.84 KCNH2 (0.47) KCNH2TRPV1
SCHEMBL2642104 0.84 GAA (0.41) TAS1R3TAS1R1TAS1R2
SCHEMBL29274096 0.83 SLC6A3 (0.49) TAS1R3TAS1R1TAS1R2KCNH2
SCHEMBL2648208 0.82 CTSD (0.44) TAS1R3TAS1R1TAS1R2CTSDEPHX1

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 21 patents — showing the first 20. 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
EP-1341774-B1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2006-02-01 EP 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
EP-1341774-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-09-10 EP 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-6545155-B2 Useful for increasing insulin secretion in the treatment of type II diabetes HOFFMANN-LA ROCHE INC. 2003-04-08 US disclosed
US-6448399-B1 3-CYCLOALKYL- OR PROPYL-2-(3,4-DIHALOPHENYL)-N-QUINOLINYL-, QUINAZOLINYL-, OR QUINOXOLINYL-PROPIONAMIDE. HOFFMANN-LA ROCHE INC. 2002-09-10 US disclosed
US-6441184-B1 SUCH AS N-BENZOOXAZOL-2-YL-3-CYCLOPENTYL-2-(4-METHANESULFONYL -PHENYL)-PROPIONAMIDE FOR INCREASING INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES HOFFMANN-LA ROCHE INC. 2002-08-27 US disclosed
US-20020111372-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY L (US) 2002-08-15 US disclosed
US-6433188-B1 ANTIDIABETIC AGENTS CORBETT WENDY LEA (US) 2002-08-13 US disclosed
US-20020107396-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY LEA (US) 2002-08-08 US disclosed
US-20020103199-A1 Fused heteroaromatic glucokinase activators CORBETT WENDY LEA (US) 2002-08-01 US disclosed
US-20020103241-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS CORBETT WENDY L (US) 2002-08-01 US disclosed
WO-2002046173-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2002-06-13 WO 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20020111372-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 TAS1R3 4342/4885TAS1R1 4473/4885TAS1R2 3906/4885
US-20040014968-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK TAS1R3 4143/4885TAS1R1 4599/4885TAS1R2 3829/4885
US-20020103199-A1 Fused heteroaromatic glucokinase activators GCKR, GCK, GPR119 TAS1R3 4342/4885TAS1R1 4473/4885TAS1R2 3906/4885
US-20020107396-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 TAS1R3 4342/4885TAS1R1 4473/4885TAS1R2 3906/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK TAS1R3 4068/4885TAS1R1 4560/4885TAS1R2 3712/4885
US-20020103241-A1 FUSED HETEROAROMATIC GLUCOKINASE ACTIVATORS GCKR, GCK, GPR119 TAS1R3 4342/4885TAS1R1 4473/4885TAS1R2 3906/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK TAS1R3 4143/4885TAS1R1 4599/4885TAS1R2 3829/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK TAS1R3 4143/4885TAS1R1 4599/4885TAS1R2 3829/4885

“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.