SCHEMBL8272736

SCHEMBL8272736

CN1CCN(Cc2cc(Cl)c3c(c2)CN(Cc2ccc(Oc4ccccc4)cc2)C3=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
FAAH O00519 3/20 0.44
MC4R P32245 1/20 0.44
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
CHKA P35790 1/20 0.40

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
SCHEMBL8272058 0.92 HRH3 (0.48) FAAHALDH1A1KDM4ESIGMAR1
SCHEMBL2019146 0.90 SIGMAR1 (0.43) SIGMAR1
SCHEMBL12442286 0.90 NPC1 (0.46) NPC1TP53RAB9AFAAHMC4R
SCHEMBL8271716 0.86 LSS (0.48) SIGMAR1
SCHEMBL2023030 0.84 NPC1 (0.39) NPC1TP53RAB9AFAAHMC4R
SCHEMBL8272733 0.83 MCHR1 (0.41) FAAH
SCHEMBL2022865 0.83 HRH3 (0.45) KDM4ESIGMAR1
SCHEMBL8271263 0.81 CHKA (0.52) FAAHALDH1A1KDM4ECHKA
SCHEMBL2022587 0.81 MEN1 (0.41) FAAH
SCHEMBL2028181 0.81 SIGMAR1 (0.41) NPC1TP53RAB9AALDH1A1KDM4E

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 4 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
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
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 1517/4885TP53 4251/4885RAB9A 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.