SCHEMBL12413591

SCHEMBL12413591

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
GRM2 Q14416 1/20 0.39
ACACB O00763 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
PTGER4 P35408 1/20 0.35
ALDH1A1 P00352 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
METAP2 P50579 1/20 0.34
HSD17B13 Q7Z5P4 1/20 0.34
CCR2 P41597 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
GRIN2B Q13224 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KCNA5 P22460 1/20 0.33

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 0.91 GRM2 (0.39) TNFNOD2NOD1GRM2KMT2A
SCHEMBL12413583 0.91 GRM2 (0.38) TNFNOD2NOD1GRM2KMT2A
SCHEMBL1003527 0.83 GRM2 (0.43) TNFNOD2NOD1GRM2ALDH1A1
SCHEMBL2021638 0.75 GRM2 (0.46) GRM2ALDH1A1HCRTR1HCRTR2GRIN2B
SCHEMBL2026639 0.75 GRM2 (0.47) GRM2ALDH1A1METAP2HCRTR1HCRTR2
SCHEMBL1003528 0.74 GRIN2B (0.43) GRM2ALDH1A1METAP2HSD17B13GRIN2B
SCHEMBL12413577 0.74 GRIN2B (0.43) GRM2ALDH1A1METAP2HSD17B13GRIN2B
SCHEMBL1003705 0.74 GRM2 (0.53) GRM2KMT2AALDH1A1
SCHEMBL2025257 0.73 GRM2 (0.46) GRM2ALDH1A1METAP2HCRTR1HCRTR2
SCHEMBL1000928 0.72 GRM2 (0.44) GRM2ALDH1A1HCRTR1HCRTR2GRIN2B

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 TNF 3027/4885NOD2 1385/4885NOD1 2189/4885

“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.