SCHEMBL2334665

SCHEMBL2334665

FC(F)(F)C=Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.59
GSK3B P49841 3/20 0.57
BACE1 P56817 3/20 0.57
MAOB P27338 3/20 0.56
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
CYP1A2 P05177 2/20 0.51
LMNA P02545 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
PPARG P37231 2/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
CYP1A1 P04798 1/20 0.50
CYP19A1 P11511 1/20 0.50

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
SCHEMBL2334662 1.00 LCK (0.59) LCKGSK3BBACE1MAOBRAB9A
SCHEMBL7766758 0.88 MAOB (0.54) LCKGSK3BBACE1MAOBRAB9A
SCHEMBL20024692 0.84 LCK (0.77) LCKGSK3BBACE1MAOBRAB9A
SCHEMBL14786203 0.84 LCK (0.77) LCKGSK3BBACE1MAOBRAB9A
SCHEMBL8913578 0.83 LCK (0.81) LCKGSK3BBACE1MAOBRAB9A
SCHEMBL8913590 0.83 LCK (0.81) LCKGSK3BBACE1MAOBRAB9A
SCHEMBL38650740 0.80 LCK (0.66) LCKGSK3BBACE1MAOBRAB9A
SCHEMBL28757264 0.79 LCK (0.60) LCKGSK3BBACE1MAOBRAB9A
SCHEMBL2092418 0.78 LCK (0.64) LCKGSK3BBACE1MAOBRAB9A
SCHEMBL11896472 0.78 LCK (0.64) LCKGSK3BBACE1MAOBRAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513424-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-20 US disclosed
US-20120258959-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2012-10-11 US disclosed
US-8232404-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-31 US disclosed
US-20110245227-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2011-10-06 US disclosed
EP-2170864-B1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-09-14 EP disclosed
US-8003796-B2 Pyridone GPR119 G protein-coupled receptor agonists BRISTOL-MYERS SQUIBB COMPANY (US) 2011-08-23 US disclosed
EP-2170864-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2010-04-07 EP disclosed
US-20090023702-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2009-01-22 US disclosed
WO-2009012275-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-22 WO disclosed
EP-1100785-A1 SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES Aventis CropScience GmbH (DE) 2001-05-23 EP disclosed
US-6197729-B1 COMBATING PEST WHICH COMPRISES APPLYING TO PEST OR ITS LOCUS PESTICIDAL CYCLOHEXYLAMINOPYRIMIDINNE COMPOUND HOECHST SCHERING AGREVO (DE) 2001-03-06 US disclosed
WO-2000007998-A1 SUBSTITUTED CYCLOHEXYLAMINOPYRIMIDINES AVENTIS CROPSCIENCE GMBH (DE) 2000-02-17 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 (3 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-20120258959-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 LCK 3091/4885GSK3B 4240/4885BACE1 4064/4885
US-20110245227-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 LCK 3091/4885GSK3B 4240/4885BACE1 4064/4885
US-20090023702-A1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS GPR119, GPR65, GPR27 LCK 3057/4885GSK3B 4233/4885BACE1 3973/4885

“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.