SCHEMBL12580809

SCHEMBL12580809

Cc1cncc(-c2cc(C)c3c(c2)CN(Cc2ccc(OC(F)(F)F)cc2)C3=O)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 3/20 0.57
PIK3CG P48736 1/20 0.42
GRIN2B Q13224 2/20 0.42
CHRM5 P08912 5/20 0.39
PRMT6 Q96LA8 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SSTR5 P35346 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
HTR2C P28335 1/20 0.37
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35

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
SCHEMBL2022413 0.90 GRM2 (0.55) GRM2PIK3CGGRIN2BCHRM5PRMT6
SCHEMBL2025275 0.89 GRM2 (0.54) GRM2PIK3CGGRIN2BCHRM5PRMT6
SCHEMBL2025283 0.89 GRM2 (0.54) GRM2PIK3CGGRIN2BCHRM5PRMT6
SCHEMBL8270193 0.88 GRM2 (0.57) GRM2PIK3CGCHRM5HTR2CCYP11B1
SCHEMBL2027849 0.87 GRM2 (0.60) GRM2PIK3CGGRIN2BCHRM5ALDH1A1
SCHEMBL1002074 0.87 GRM2 (0.58) GRM2PIK3CGPRMT6ALDH1A1SSTR5
SCHEMBL1003029 0.86 GRM2 (0.52) GRM2PIK3CGGRIN2BCHRM5PRMT6
SCHEMBL2021840 0.86 GRM2 (0.43) GRM2PIK3CGCYP11B2
SCHEMBL2024338 0.85 GRM2 (0.59) GRM2PIK3CGPRMT6ALDH1A1CYP11B2
SCHEMBL12641830 0.85 GRM2 (0.59) GRM2GRIN2BCHRM5ALDH1A1HCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 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-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 GRM2 4/4885PIK3CG 1735/4885GRIN2B 16/4885

“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.