SCHEMBL12413583

SCHEMBL12413583

N=C(NC(=O)CN1CCC(O)CC1)c1cc(Cl)c2c(c1)CN(Cc1ccc(OC(F)(F)F)cc1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
CCR2 P41597 3/20 0.38
DRD4 P21917 3/20 0.38
HTR2A P28223 2/20 0.38
DRD2 P14416 2/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ATM Q13315 1/20 0.36
TNF P01375 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NOD1 Q9Y239 1/20 0.35
KCNH2 Q12809 1/20 0.35
MCHR1 Q99705 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
HCRTR1 O43613 4/20 0.34
HCRTR2 O43614 4/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 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
SCHEMBL12413589 0.95 GRM2 (0.39) GRM2CCR2DRD4HTR2ADRD2
SCHEMBL12413591 0.91 TNF (0.40) GRM2CCR2DRD4DRD2KMT2A
SCHEMBL1003527 0.82 GRM2 (0.43) GRM2TNFNOD2NOD1HCRTR1
SCHEMBL1001003 0.75 GRM2 (0.51) GRM2ACHE
SCHEMBL2021638 0.74 GRM2 (0.46) GRM2HCRTR1HCRTR2
SCHEMBL2026639 0.74 GRM2 (0.47) GRM2HCRTR1HCRTR2
SCHEMBL1003528 0.73 GRIN2B (0.43) GRM2
SCHEMBL12413577 0.73 GRIN2B (0.43) GRM2
SCHEMBL2025257 0.72 GRM2 (0.46) GRM2HCRTR1HCRTR2
SCHEMBL2026888 0.71 GRM2 (0.47) GRM2HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators VAN WAGENEN BRADFORD 2011-07-07 US disclosed
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators VAN WAGENEN BRADFORD 2011-07-07 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 (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-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 GRM2 3/4885CCR2 1271/4885DRD4 123/4885

“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.