SCHEMBL2022181

SCHEMBL2022181

O=C1c2ccccc2CN1CCCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
SIRT1 Q96EB6 1/20 0.61
DRD2 P14416 3/20 0.59
DRD5 P21918 3/20 0.59
DRD3 P35462 3/20 0.59
HTR1A P08908 1/20 0.59
PARP1 P09874 2/20 0.59
PARP2 Q9UGN5 2/20 0.59
HTR7 P34969 2/20 0.58
ACHE P22303 1/20 0.55
ALDH1A1 P00352 2/20 0.52
KMT2A Q03164 2/20 0.52
APAF1 O14727 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
CASP1 P29466 1/20 0.52
RAB9A P51151 1/20 0.52
BLM P54132 1/20 0.52

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
SCHEMBL2019710 0.95 DRD2 (0.61) KDM4EALOX15TSHRSIRT1DRD2
SCHEMBL29427924 0.90 ALOX15 (0.65) KDM4EALOX15TSHRSIRT1DRD2
SCHEMBL741365 0.90 ALOX15 (0.65) KDM4EALOX15TSHRSIRT1DRD2
SCHEMBL2024503 0.88 KDM4E (0.52) KDM4EALOX15TSHRSIRT1DRD2
SCHEMBL2024622 0.88 DRD3 (0.62) KDM4EALOX15TSHRSIRT1DRD2
SCHEMBL2024290 0.88 KDM4E (0.52) KDM4EALOX15TSHRSIRT1DRD2
SCHEMBL2024544 0.85 DRD3 (0.55) KDM4EALOX15TSHRSIRT1DRD2
SCHEMBL2024311 0.85 DRD2 (0.50) KDM4EALOX15TSHRSIRT1DRD2
SCHEMBL2024906 0.85 NPC1 (0.54) KDM4EALOX15TSHRSIRT1DRD2
SCHEMBL2026868 0.85 DRD2 (0.53) KDM4EALOX15TSHRSIRT1DRD2

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-107148409-A Substituted bicyclic compounds 百时美施贵宝公司 2017-09-08 CN disclosed
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
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
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 KDM4E 3671/4885ALOX15 2495/4885TSHR 408/4885

“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.