SCHEMBL1003316

SCHEMBL1003316

Cc1cc(-c2nc(CN3CCN(C)CC3)no2)cc2c1C(=O)N(Cc1ccc(OC(F)(F)F)cc1)C2

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.85
ALDH1A1 P00352 1/20 0.47
TSHR P16473 1/20 0.38
HIF1A Q16665 1/20 0.38
STAT3 P40763 4/20 0.37
ABL1 P00519 1/20 0.36
PHGDH O43175 1/20 0.36
SCN5A Q14524 1/20 0.36
KCNH2 Q12809 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
S1PR1 P21453 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
SCHEMBL2023554 0.93 GRM2 (0.84) GRM2ALDH1A1TSHRSTAT3ABL1
SCHEMBL1000992 0.92 GRM2 (0.81) GRM2ALDH1A1TSHRHIF1ASTAT3
SCHEMBL2124540 0.92 GRM2 (1.00) GRM2ALDH1A1TSHRSTAT3ABL1
SCHEMBL2022166 0.89 GRM2 (0.78) GRM2ALDH1A1SCN5AKCNH2PPARG
SCHEMBL1005072 0.89 GRM2 (0.76) GRM2ALDH1A1STAT3PHGDHSCN5A
SCHEMBL2585975 0.88 GRM2 (0.92) GRM2ALDH1A1STAT3PHGDHSCN5A
SCHEMBL1004865 0.88 GRM2 (0.68) GRM2ALDH1A1TSHRHIF1ASTAT3
SCHEMBL16673472 0.88 GRM2 (0.74) GRM2ALDH1A1TSHRSTAT3PHGDH
SCHEMBL2025577 0.87 GRM2 (0.75) GRM2ALDH1A1TSHRSCN5AKCNH2
SCHEMBL2022840 0.87 GRM2 (0.75) GRM2ALDH1A1SCN5AKCNH2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 US claimed
US-20130203995-A1 Process for Making a Metabotropic Glutamate Receptor Positive Allosteric Modulator - 874 ASTRAZENECA AB (SE) 2013-08-08 US disclosed
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
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators VAN WAGENEN BRADFORD 2011-07-07 US disclosed
US-7868008-B2 Substituted isoindolones and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-01-11 US disclosed
US-7868008-B2 Substituted isoindolones and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-01-11 US disclosed
US-7868008-B2 Substituted isoindolones and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-01-11 US disclosed
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 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 (3 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-20130203995-A1 Process for Making a Metabotropic Glutamate Receptor Positive Allosteric Modulator - 874 GRM4, GRIK4, GRIA4 GRM2 6/4885ALDH1A1 3129/4885TSHR 418/4885
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS GRM1, GRIN1, GRM2 GRM2 3/4885ALDH1A1 1757/4885TSHR 334/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 GRM2 3/4885ALDH1A1 1757/4885TSHR 334/4885

“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.