SCHEMBL2644229

SCHEMBL2644229

CSc1ccc(C(CC2CCCC2)C(=O)N(C)C(C)C(O)c2ccccc2)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
KCNH2 Q12809 2/20 0.37
NPY5R Q15761 7/20 0.36
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2644230 1.00 GAA (0.39) GAAKCNH2NPY5RPSEN1PSEN2
SCHEMBL1858505 0.98 GAA (0.39) GAAKCNH2NPY5RPSEN1PSEN2
SCHEMBL1858509 0.98 GAA (0.39) GAAKCNH2NPY5RPSEN1PSEN2
SCHEMBL1858506 0.98 GAA (0.39) GAAKCNH2NPY5RPSEN1PSEN2
SCHEMBL1862882 0.91 GAA (0.38) GAAKCNH2NPY5RPSEN1PSEN2
SCHEMBL1862884 0.91 GAA (0.38) GAAKCNH2NPY5RPSEN1PSEN2
SCHEMBL1862881 0.91 GAA (0.38) GAAKCNH2NPY5RPSEN1PSEN2
SCHEMBL2645303 0.90 GAA (0.40) GAANPY5RPSEN1PSEN2APH1B
SCHEMBL2645302 0.90 GAA (0.40) GAANPY5RPSEN1PSEN2APH1B
SCHEMBL2642053 0.89 GAA (0.35) GAANPY5RCYP3A4CYP2D6SLC6A2

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
US-20070203207-A1 Heteroaromatic glucokinase activators BIZZARRO FRED T 2007-08-30 US disclosed
EP-1572670-B1 5-SUBSTITUTED-PYRAZINE OR -PYRIDINE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2007-08-22 EP 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-7132425-B2 5-substituted-six-membered heteroaromatic glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2006-11-07 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
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators CHEN SHAOQING (US) 2004-07-29 US 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

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 GAA 589/4885KCNH2 1022/4885NPY5R 2755/4885
US-20040147748-A1 5-Substituted-six-membered heteroaromatic glucokinase activators GCK, GCKR, GALK1 GAA 59/4885KCNH2 1458/4885NPY5R 1891/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK GAA 589/4885KCNH2 1022/4885NPY5R 2755/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK GAA 589/4885KCNH2 1022/4885NPY5R 2755/4885

“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.