SCHEMBL2023747

SCHEMBL2023747

N#Cc1ccc2c(c1)CN(CC1CCNCC1)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.47
PARP1 P09874 1/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 1/20 0.46
LRRK2 Q5S007 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
SLC6A2 P23975 4/20 0.42
SLC6A4 P31645 4/20 0.42
SLC6A3 Q01959 2/20 0.42
ITGB3 P05106 3/20 0.42
ITGA2B P08514 3/20 0.42
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
KCNH2 Q12809 2/20 0.41
HTR3A P46098 1/20 0.41
HRH3 Q9Y5N1 3/20 0.39
KDM1A O60341 1/20 0.38
DRD2 P14416 1/20 0.38

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
Hydrochloric Acid SCHEMBL5251690 0.99 GRM5 (0.46) GRM5PARP1HTR2AHTR2CHTR2B
SCHEMBL5240763 0.82 GRM5 (0.48) GRM5PARP1HTR2AHTR2CHTR2B
SCHEMBL2025200 0.82 PARP1 (0.48) GRM5PARP1HTR2ASLC6A4ITGB3
SCHEMBL2028047 0.82 PARP1 (0.48) GRM5PARP1HTR2ASLC6A4ITGB3
SCHEMBL2023236 0.82 DRD2 (0.50) GRM5PARP1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL5251064 0.81 PARP1 (0.47) GRM5PARP1HTR2ASLC6A4ITGB3
Hydrochloric Acid SCHEMBL5247769 0.81 DRD2 (0.49) GRM5PARP1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL5251453 0.81 PARP1 (0.47) GRM5PARP1HTR2ASLC6A4ITGB3
SCHEMBL2030340 0.79 ADAM17 (0.48) PARP1HTR2AHTR2CHTR2BITGB3
SCHEMBL17814222 0.79 PARP1 (0.58) GRM5PARP1HTR2ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101039907-B Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB 2011-02-23 CN claimed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US claimed
CN-101039907-A Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2007-09-19 CN claimed
CN-102134214-B Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB 2013-05-22 CN disclosed
EP-2357169-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators AstraZeneca AB (SE) 2011-08-17 EP disclosed
CN-102134214-A Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA SWEDEN AB 2011-07-27 CN disclosed
US-7968570-B2 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-06-28 US disclosed
CN-101039907-B Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB 2011-02-23 CN disclosed
US-20090275578-A1 Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2009-11-05 US disclosed
CN-101039907-A Isoindolone compounds and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2007-09-19 CN 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 GRM5 6/4885PARP1 3945/4885HTR2A 701/4885

“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.