SCHEMBL2646467

SCHEMBL2646467

COC(=O)C(CC1CCCC1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
SLC6A3 Q01959 1/20 0.44
EPHX1 P07099 1/20 0.43
KCNH2 Q12809 1/20 0.43
LMNA P02545 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
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42

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
SCHEMBL2646649 0.85 POLB (0.50) POLBALDH1A1KDM4EEPHX1KCNH2
SCHEMBL4656943 0.81 AKR1C3 (0.51) ALDH1A1LMNACYP3A4CYP2D6CYP2C9
SCHEMBL2646035 0.81 EPHX2 (0.45) ALDH1A1SLC6A3EPHX1L3MBTL1
SCHEMBL2646847 0.81 POLB (0.54) POLBALDH1A1SLC6A3CYP3A4CYP2C19
SCHEMBL1418963 0.80 SLC6A3 (0.50) ALDH1A1SLC6A3LMNA
SCHEMBL2646355 0.80 KMT2A (0.47) ALDH1A1SLC6A3LMNACYP3A4CYP2D6
SCHEMBL14445141 0.77 ALDH1A1 (0.46) POLBALDH1A1LMNACYP3A4CYP2D6
SCHEMBL2646705 0.77 THRB (0.49) POLBKCNH2LMNAMAPTHTT
SCHEMBL3998594 0.77 KMT2A (0.49) ALDH1A1SLC6A3LMNA
SCHEMBL2842744 0.76 OPRD1 (0.48) KDM4ESLC6A3LMNARAB9A

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 11 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
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 POLB 1856/4885ALDH1A1 3347/4885KDM4E 2379/4885
US-20010039344-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK POLB 1803/4885ALDH1A1 3111/4885KDM4E 3241/4885
US-20070203207-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK POLB 1856/4885ALDH1A1 3347/4885KDM4E 2379/4885
US-20050261503-A1 Heteroaromatic glucokinase activators GCKR, GCK, PDXK POLB 1856/4885ALDH1A1 3347/4885KDM4E 2379/4885

“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.