SCHEMBL2028720

SCHEMBL2028720

CCN1CCN(c2cc(C)c3c(c2)CN(Cc2ccc(OC(F)(F)F)cc2)C3=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.53
TSHR P16473 1/20 0.53
ALDH1A1 P00352 1/20 0.45
KDM2B Q8NHM5 2/20 0.43
KMT2A Q03164 1/20 0.39
MCHR1 Q99705 3/20 0.39
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
LSS P48449 1/20 0.38
GRIN2B Q13224 1/20 0.38
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
GAA P10253 1/20 0.36
RAD52 P43351 1/20 0.36
CYP2C9 P11712 1/20 0.36
RORC P51449 1/20 0.36
PHGDH O43175 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 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
SCHEMBL2028589 0.91 GRM2 (0.53) GRM2TSHRALDH1A1KMT2AMCHR1
SCHEMBL2027356 0.89 GRM2 (0.51) GRM2TSHRALDH1A1PPARDPPARA
SCHEMBL2023238 0.89 GRM2 (0.54) GRM2TSHRALDH1A1PPARDPPARA
SCHEMBL2025756 0.89 TSHR (0.51) GRM2TSHRALDH1A1KDM2BHCRTR1
SCHEMBL2023300 0.88 GRM2 (0.50) GRM2TSHRALDH1A1KDM2BPPARD
SCHEMBL2022488 0.88 GRM2 (0.51) GRM2TSHRALDH1A1MCHR1GRIN2B
SCHEMBL2025534 0.88 GRM2 (0.62) GRM2TSHRALDH1A1MCHR1PPARD
SCHEMBL2025669 0.87 GRM2 (0.49) GRM2TSHRALDH1A1PPARDPPARA
SCHEMBL2025703 0.86 GRM2 (0.50) GRM2TSHRALDH1A1PPARDPPARA
SCHEMBL2022117 0.85 GRM2 (0.51) GRM2TSHRALDH1A1KMT2ACHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed
EP-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed
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-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
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
WO-2006020879-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2006-02-23 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-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators GRM1, GRIN1, GRM3 GRM2 4/4885TSHR 408/4885ALDH1A1 1582/4885

“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.