SCHEMBL1001404

SCHEMBL1001404

Cc1cc(CC2CCNCC2)cc2c1C(=O)N(CC(C)C1CCCCC1)C2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
PARP1 P09874 1/20 0.33
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
PYGL P06737 1/20 0.31
PIK3CG P48736 3/20 0.31
GBA1 P04062 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30

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 0.84 PARP1 (0.45) HTR2AHTR2CHTR2BPARP1ITGB3
SCHEMBL1001401 0.81 ITGB3 (0.35) HTR2AHTR2CHTR2BPARP1ITGB3
SCHEMBL1002883 0.81 PARP1 (0.47) HTR2AHTR2CHTR2BPARP1PIK3CG
SCHEMBL1001400 0.80 PIK3CG (0.42) HTR2AHTR2CHTR2BPYGLPIK3CG
SCHEMBL2026779 0.71 GRM2 (0.57) HTR2C
SCHEMBL2025273 0.68 PARP1 (0.47) HTR2AHTR2CHTR2BPARP1ITGB3
SCHEMBL2022463 0.66 HTR2A (0.38) HTR2AHTR2CHTR2BPARP1PRMT5
SCHEMBL1005063 0.65 PARP1 (0.48) HTR2APARP1
SCHEMBL1002269 0.65 PARP1 (0.43) PARP1PRMT5WDR77PIK3CGPIK3CD
SCHEMBL2019312 0.65 KCNH2 (0.41) HTR2CHTR2BPARP1PRMT5WDR77

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 HTR2A 563/4885HTR2C 692/4885HTR2B 586/4885
US-20110166155-A1 Substituted Isoindolones and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 HTR2A 563/4885HTR2C 692/4885HTR2B 586/4885

“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.