SCHEMBL2024906

SCHEMBL2024906

COc1ccc(CCCN2Cc3ccccc3C2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
RAB9A P51151 1/20 0.54
DRD3 P35462 7/20 0.53
DRD2 P14416 2/20 0.53
DRD5 P21918 2/20 0.53
HTR7 P34969 1/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
APAF1 O14727 1/20 0.52
GAA P10253 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
NR1H3 Q13133 1/20 0.51
SMPD1 P17405 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL25330979 0.92 NPC1 (0.57) NPC1PKMRAB9ADRD3DRD2
SCHEMBL2025799 0.86 SIGMAR1 (0.53) NPC1PKMRAB9ADRD3DRD2
SCHEMBL8547905 0.85 ADAM17 (0.53) DRD3DRD2SIGMAR1KDM4E
SCHEMBL2022181 0.85 KDM4E (0.61) PKMRAB9ADRD3DRD2DRD5
SCHEMBL2024410 0.84 KDM4E (0.46) DRD3DRD2DRD5HTR7MEN1
SCHEMBL2022603 0.84 MEN1 (0.64) NPC1PKMRAB9ADRD2MEN1
SCHEMBL30817456 0.84 MEN1 (0.64) NPC1PKMRAB9ADRD2MEN1
SCHEMBL2024622 0.83 DRD3 (0.62) DRD3DRD2DRD5HTR7MEN1
SCHEMBL2024503 0.83 KDM4E (0.52) DRD3DRD2DRD5HTR7MEN1
SCHEMBL2024290 0.83 KDM4E (0.52) DRD3DRD2DRD5HTR7KDM4E

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
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 NPC1 1517/4885PKM 2882/4885RAB9A 1904/4885

“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.