SCHEMBL8008982

SCHEMBL8008982

O=C1CCc2ccc(OCC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc2N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.58
GRIN2B Q13224 1/20 0.58
DRD2 P14416 9/20 0.51
DRD4 P21917 2/20 0.51
DRD3 P35462 2/20 0.51
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 2/20 0.47
KCNH2 Q12809 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
MEN1 O00255 1/20 0.47
MLNR O43193 1/20 0.47
HTR3B O95264 1/20 0.47
ABCB11 O95342 1/20 0.47
ESR1 P03372 1/20 0.47
PGR P06401 1/20 0.47
ADRB2 P07550 1/20 0.47
CHRM2 P08172 1/20 0.47
ABCB1 P08183 1/20 0.47

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
SCHEMBL2018529 0.92 GRIN1 (0.58) GRIN1GRIN2BTDP1POLBRAB9A
SCHEMBL8008833 0.90 ENPP2 (0.58) DRD2DRD4DRD3TDP1POLB
SCHEMBL12576523 0.90 GRIN1 (0.57) GRIN1GRIN2BTDP1POLBRAB9A
SCHEMBL8006982 0.86 DRD2 (0.51) DRD2DRD4DRD3TDP1POLB
SCHEMBL2022580 0.85 GRIN1 (0.59) GRIN1GRIN2BTDP1POLBRAB9A
SCHEMBL15451474 0.84 NPC1 (0.54) GRIN1GRIN2BDRD2DRD4DRD3
SCHEMBL2018263 0.83 SMN1; SMN2 (0.55) GRIN1GRIN2BDRD2DRD4DRD3
SCHEMBL2024131 0.82 KCNH2 (0.67) TDP1POLBMAPTKCNH2MAOA
SCHEMBL8007637 0.81 GRIN1 (0.58) GRIN1GRIN2BTDP1POLBRAB9A
SCHEMBL8007044 0.80 KCNH2 (0.73) DRD2DRD4DRD3MAPTKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170334-B1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION UNIV EMORY (US) 2021-03-17 EP disclosed
US-9079852-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2015-07-14 US disclosed
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection LIOTTA DENNIS C (US) 2014-01-30 US disclosed
US-8420680-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2013-04-16 US disclosed
WO-2009137843-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS EMORY UNIVERSITY (US) 2009-11-12 WO disclosed
WO-2009006437-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION EMORY UNIVERSITY (US) 2009-01-08 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-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 GRIN1 1/4885GRIN2B 7/4885DRD2 654/4885

“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.