SCHEMBL1005072

SCHEMBL1005072

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

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.76
KCNH2 Q12809 2/20 0.41
STAT3 P40763 7/20 0.40
TBK1 Q9UHD2 2/20 0.38
IKBKE Q14164 1/20 0.38
PHGDH O43175 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
LSS P48449 1/20 0.36
NSD2 O96028 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
IDO2 Q6ZQW0 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
TP53 P04637 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
SCHEMBL6854810 0.94 GRM2 (0.68) GRM2KCNH2STAT3TBK1IKBKE
SCHEMBL16673472 0.90 GRM2 (0.74) GRM2KCNH2STAT3PHGDHLSS
SCHEMBL1003316 0.89 GRM2 (0.85) GRM2KCNH2STAT3PHGDHALDH1A1
SCHEMBL2023554 0.87 GRM2 (0.84) GRM2KCNH2STAT3ALDH1A1SCN5A
SCHEMBL1000992 0.86 GRM2 (0.81) GRM2KCNH2STAT3PHGDHALDH1A1
SCHEMBL2124540 0.86 GRM2 (1.00) GRM2KCNH2STAT3PHGDHALDH1A1
SCHEMBL2585975 0.84 GRM2 (0.92) GRM2KCNH2STAT3PHGDHALDH1A1
SCHEMBL2022166 0.84 GRM2 (0.78) GRM2KCNH2ALDH1A1SCN5ASCN9A
SCHEMBL2025577 0.81 GRM2 (0.75) GRM2KCNH2LSSALDH1A1SCN5A
SCHEMBL2022840 0.81 GRM2 (0.75) GRM2KCNH2ALDH1A1SCN5ASCN9A

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521722-B1 PROCESS FOR MAKING A METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATOR - 874 ASTRAZENECA AB (SE) 2015-05-06 EP claimed
US-20130237548-A1 INJECTABLE EMULSION OF SEDATIVE HYPNOTIC AGENT ASTRAZENECA AB (SE) 2013-09-12 US claimed
US-20130203995-A1 Process for Making a Metabotropic Glutamate Receptor Positive Allosteric Modulator - 874 ASTRAZENECA AB (SE) 2013-08-08 US claimed
EP-2563782-A1 POLYMORPHS OF A METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATOR AstraZeneca AB (SE) 2013-03-06 EP claimed
EP-2521722-A1 PROCESS FOR MAKING A METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATOR - 874 AstraZeneca AB (SE) 2012-11-14 EP claimed
WO-2011136723-A1 POLYMORPHS OF A METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATOR ASTRAZENECA AB (SE) 2011-11-03 WO claimed
WO-2011084098-A1 PROCESS FOR MAKING A METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATOR - 874 ASTRAZENECA AB (SE) 2011-07-14 WO claimed
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 US claimed
EP-1912940-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2008-04-23 EP claimed
WO-2007021309-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-02-22 WO claimed
EP-2521722-B1 PROCESS FOR MAKING A METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATOR - 874 ASTRAZENECA AB (SE) 2015-05-06 EP disclosed
EP-2521722-B1 PROCESS FOR MAKING A METABOTROPIC GLUTAMATE RECEPTOR POSITIVE ALLOSTERIC MODULATOR - 874 ASTRAZENECA AB (SE) 2015-05-06 EP disclosed
US-20130237548-A1 INJECTABLE EMULSION OF SEDATIVE HYPNOTIC AGENT ASTRAZENECA AB (SE) 2013-09-12 US disclosed
US-20130203995-A1 Process for Making a Metabotropic Glutamate Receptor Positive Allosteric Modulator - 874 ASTRAZENECA AB (SE) 2013-08-08 US disclosed
US-20130203995-A1 Process for Making a Metabotropic Glutamate Receptor Positive Allosteric Modulator - 874 ASTRAZENECA AB (SE) 2013-08-08 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 (2 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 6/4885KCNH2 786/4885STAT3 2060/4885
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS GRM1, GRIN1, GRM2 GRM2 3/4885KCNH2 396/4885STAT3 2777/4885

“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.