SCHEMBL2021449

SCHEMBL2021449

Cc1cc(C#CCN2CCN(C)CC2)cc2c1C(=O)N(Cc1ccc(Cl)cc1)C2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.39
GRIN1 Q05586 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
P2RX7 Q99572 1/20 0.36
LSS P48449 1/20 0.36
HTR6 P50406 2/20 0.36
GRM2 Q14416 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
FABP6 P51161 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2025268 0.91 NMT1 (0.42) NMT1GRIN1HRH3DRD3KCNH2
SCHEMBL2020768 0.87 NPC1 (0.39) NMT1GRIN1HRH3KCNH2GRM2
SCHEMBL2026654 0.86 GRM2 (0.51) NMT1HRH3LSSHTR6GRM2
SCHEMBL8271742 0.82 LSS (0.45) DRD3KCNH2LSSHTR6SMN1; SMN2
SCHEMBL2027571 0.81 CHKA (0.41) NMT1HRH3HTR6
SCHEMBL2025591 0.81 NMT1 (0.39) NMT1DRD3KCNH2
SCHEMBL1002356 0.80 P2RX7 (0.39) DRD3KCNH2P2RX7GRM2
SCHEMBL2023030 0.79 NPC1 (0.39) NMT1GRIN1HRH3KCNH2SMN1; SMN2
SCHEMBL2029731 0.79 ALDH1A1 (0.49) NMT1LSSHTR6GRM2
SCHEMBL2025327 0.78 LSS (0.45) DRD3KCNH2P2RX7LSSHTR6

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 7 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-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
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

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 NMT1 1347/4885GRIN1 2/4885HRH3 515/4885

“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.