SCHEMBL2217686

SCHEMBL2217686

[c]1cccc2nc3c(nc12)CC3

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.30
ACHE P22303 2/20 0.30
KDM4E B2RXH2 1/20 0.30
CACNB4 O00305 1/20 0.30
CACNA1A O00555 1/20 0.30
SLC22A2 O15244 1/20 0.30
SLC22A1 O15245 1/20 0.30
ABCC4 O15439 1/20 0.30
CACNA1G O43497 1/20 0.30
CACNG3 O60359 1/20 0.30
CACNA1F O60840 1/20 0.30
CACNA1H O95180 1/20 0.30
ALDH1A1 P00352 1/20 0.30
APP P05067 1/20 0.30
CYP1A2 P05177 1/20 0.30
FABP1 P07148 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
ADRA2A P08913 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL25712 0.76 MAPT (0.52) ACHEKDM4EALDH1A1CYP1A2CHRM2
SCHEMBL4573051 0.72 GPR3 (0.39) KDM4EALDH1A1CYP1A2TSHRHSD17B10
SCHEMBL7271710 0.68 CYP1A2 (0.37) KDM4EALDH1A1CYP1A2
SCHEMBL655231 0.68 MYC (0.38) ACHEKDM4EALDH1A1CYP1A2CHRM2
SCHEMBL7972525 0.68 CYP1A2 (0.41) ALDH1A1CYP1A2
SCHEMBL3583270 0.65 DGAT1 (0.36) KDM4EALDH1A1CYP1A2ADORA3HSD17B10
SCHEMBL3583877 0.65 DGAT1 (0.36) KDM4EALDH1A1ADORA3HSD17B10
SCHEMBL7976285 0.64 ALDH1A1 (0.37) ALDH1A1
SCHEMBL4848335 0.64 NCF1 (0.32) KDM4EALDH1A1HSD17B10
SCHEMBL7974002 0.64 ALDH1A1 (0.37) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848695-B1 COMPOUNDS WHICH POTENTIATE GLUTAMATE RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LTD (GB) 2011-07-27 EP disclosed
US-7790758-B2 glutamate receptors agonists; especially to treat psychotic conditions, including schizophrenia and enhancement of cognition; N-{-2-[4-(6-fluoro-3-pyridinyl)phenyl]cyclopropyl}-2-propanesulfonamide; stereoselectively epoxidising a suitable styrene; coupling with boronic acid derivatives GLAXO GROUP LIMITED (GB) 2010-09-07 US disclosed
WO-2009092712-A1 COMPOUNDS WHICH POTENTIATE THE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-07-30 WO disclosed
WO-2009092713-A1 COMPOUNDS WHICH POTENTIATE THE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-07-30 WO disclosed
US-20080167351-A1 Compounds Which Potentiate Glutamate Receptor and Uses Thereof in Medicine GLAXO GROUP LIMITED (GB) 2008-07-10 US disclosed
EP-1848695-A1 COMPOUNDS WHICH POTENTIATE GLUTAMATE RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-10-31 EP disclosed
WO-2006087169-A1 COMPOUNDS WHICH POTENTIATE GLUTAMATE RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-08-24 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-20080167351-A1 Compounds Which Potentiate Glutamate Receptor and Uses Thereof in Medicine GRIN1, GRM2, GRM1 BCHE 1788/4885ACHE 1549/4885KDM4E 3518/4885

“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.