SCHEMBL2022522

SCHEMBL2022522

O=C1c2c(Cl)cc(C#CCN3CCCC3)cc2CN1Cc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.41
MCHR1 Q99705 2/20 0.38
PREP P48147 2/20 0.38
APP P05067 1/20 0.38
LTA4H P09960 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
MMP13 P45452 1/20 0.35
FAAH O00519 1/20 0.35
GRM5 P41594 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
RIPK1 Q13546 1/20 0.34

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
SCHEMBL2023030 0.93 NPC1 (0.39) HRH3APPLTA4HLMNAFAAH
SCHEMBL2023838 0.84 PARP1 (0.34) PREPLMNAFAAHGRM5EGLN1
SCHEMBL2020768 0.84 NPC1 (0.39) HRH3APPLTA4HLMNA
SCHEMBL8272058 0.83 HRH3 (0.48) HRH3MCHR1PREPAPPLTA4H
SCHEMBL2022865 0.81 HRH3 (0.45) HRH3APPLTA4HKDM4E
SCHEMBL2025268 0.80 NMT1 (0.42) HRH3KDM4EALDH1A1
SCHEMBL2029731 0.79 ALDH1A1 (0.49) ALDH1A1
SCHEMBL2022587 0.77 MEN1 (0.41) PREPMMP13FAAHEGLN1
SCHEMBL2027571 0.76 CHKA (0.41) HRH3
SCHEMBL12580781 0.76 FFAR1 (0.32) MMP13GRM5

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 8 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-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
EP-1778634-A1 ISOINDOLONE COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2007-05-02 EP 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 HRH3 515/4885MCHR1 258/4885PREP 3224/4885

“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.