SCHEMBL2646916

SCHEMBL2646916

O=C(O)C(CC1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.47
GRM6 O15303 1/20 0.47
GRM4 Q14833 1/20 0.47
KMT2A Q03164 4/20 0.44
VCAM1 P19320 2/20 0.43
MAPT P10636 4/20 0.43
HTT P42858 4/20 0.43
MEN1 O00255 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
APP P05067 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 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
SCHEMBL2647032 0.90 KMT2A (0.43) GRM8GRM6GRM4KMT2AVCAM1
SCHEMBL2646355 0.87 KMT2A (0.47) KMT2AVCAM1MAPTHTTMEN1
SCHEMBL1859328 0.84 APP (0.47) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL1859326 0.84 APP (0.47) APPPSEN1PSEN2APH1BNCSTN
SCHEMBL2662613 0.84 KCNH2 (0.41) GRM8GRM6GRM4KMT2AVCAM1
SCHEMBL2645924 0.84 KCNH2 (0.41) GRM8GRM6GRM4KMT2AVCAM1
SCHEMBL2645824 0.83 SLC6A3 (0.48) CYP1A2CYP3A4APPPSEN1PSEN2
SCHEMBL2646205 0.82 KCNH2 (0.45) KMT2AVCAM1MAPTHTTMEN1
SCHEMBL27482764 0.82 CYP1A2 (0.34) GRM8GRM6GRM4KMT2AMAPT
SCHEMBL1418785 0.80 ALDH1A1 (0.44) KMT2AMAPTMEN1ALDH1A1POLB

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 14 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
CN-1151140-C Glucokinase activators - 2004-05-26 CN 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
CN-1349519-A Glucokinase activators HOFFMANN LA ROCHE (CH) 2002-05-15 CN 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 GRM8 2874/4885GRM6 1602/4885GRM4 2308/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK GRM8 3185/4885GRM6 1983/4885GRM4 2483/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK GRM8 2874/4885GRM6 1602/4885GRM4 2308/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK GRM8 2874/4885GRM6 1602/4885GRM4 2308/4885

“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.