SCHEMBL2658503

SCHEMBL2658503

Nc1ccc(C(CC2CCCC2)C(=O)Nc2ccccn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.48
S1PR3 Q99500 1/20 0.48
KCNH2 Q12809 2/20 0.48
GCK P35557 3/20 0.48
KDM4E B2RXH2 1/20 0.47
FFAR2 O15552 2/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2645502 1.00 S1PR1 (0.48) S1PR1S1PR3KCNH2GCKKDM4E
SCHEMBL2648460 0.89 MEN1 (0.48) S1PR1S1PR3KCNH2GCKKDM4E
SCHEMBL2644373 0.89 S1PR1 (0.64) S1PR1S1PR3KCNH2GCKKDM4E
SCHEMBL2648412 0.87 KCNH2 (0.48) S1PR1S1PR3KCNH2GCKKDM4E
SCHEMBL2646759 0.86 KCNH2 (0.46) S1PR1S1PR3KCNH2GCKKDM4E
SCHEMBL2658981 0.86 KCNH2 (0.46) S1PR1S1PR3KCNH2GCKKDM4E
SCHEMBL2649082 0.86 NPY5R (0.47) S1PR1S1PR3KCNH2GCKKDM4E
SCHEMBL2647693 0.86 S1PR1 (0.48) S1PR1S1PR3KCNH2GCKKDM4E
SCHEMBL2658097 0.86 S1PR1 (0.48) S1PR1S1PR3KCNH2GCKKDM4E
SCHEMBL2645241 0.86 KCNH2 (0.46) S1PR1S1PR3KCNH2GCKKDM4E

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
EP-1169312-B1 GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2004-10-06 EP claimed
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 US disclosed
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-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-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-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-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
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 (1 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-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK S1PR1 4602/4885S1PR3 3871/4885KCNH2 1022/4885

“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.