SCHEMBL1001401

SCHEMBL1001401

Cc1cc(CC2CCNCC2)cc2c1C(=O)N(CCCC1CCCCC1)C2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 16/20 0.35
ITGA2B P08514 16/20 0.35
ITGA2 P17301 2/20 0.35
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
PARP1 P09874 2/20 0.34
PARP2 Q9UGN5 1/20 0.33
DAO P14920 1/20 0.33

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
SCHEMBL1000891 0.87 PARP1 (0.45) ITGB3ITGA2BHTR2AHTR2CHTR2B
SCHEMBL1002883 0.82 PARP1 (0.47) HTR2AHTR2CHTR2BPARP1PARP2
SCHEMBL1001404 0.81 HTR2A (0.34) ITGB3ITGA2BHTR2AHTR2CHTR2B
SCHEMBL1001400 0.75 PIK3CG (0.42) HTR2AHTR2CHTR2B
SCHEMBL2026779 0.74 GRM2 (0.57) HTR2C
SCHEMBL1005076 0.71 GPR119 (0.40) PARP1PARP2
SCHEMBL2023985 0.70 GRM2 (0.54) ITGB3ITGA2BHTR2C
SCHEMBL2025273 0.68 PARP1 (0.47) ITGB3ITGA2BHTR2AHTR2CHTR2B
SCHEMBL1005063 0.68 PARP1 (0.48) HTR2APARP1PARP2
SCHEMBL1002269 0.68 PARP1 (0.43) PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators VAN WAGENEN BRADFORD 2011-07-07 US disclosed
US-7868008-B2 Substituted isoindolones and their use as metabotropic glutamate receptor potentiators ASTRAZENECA AB (SE) 2011-01-11 US disclosed
US-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2009-04-30 US disclosed
EP-1912940-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS AstraZeneca AB (SE) 2008-04-23 EP disclosed
WO-2007021309-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS ASTRAZENECA AB (SE) 2007-02-22 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 (2 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-20090111830-A1 SUBSTITUTED ISOINDOLONES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR POTENTIATORS GRM1, GRIN1, GRM2 ITGB3 4076/4885ITGA2B 3802/4885ITGA2 3882/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 ITGB3 4076/4885ITGA2B 3802/4885ITGA2 3882/4885

“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.