SCHEMBL8006982

SCHEMBL8006982

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.51
DRD4 P21917 1/20 0.51
DRD3 P35462 1/20 0.51
AOC3 Q16853 1/20 0.49
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RECQL P46063 1/20 0.48
ADAMTS5 Q9UNA0 2/20 0.46
MMP13 P45452 1/20 0.46
MMP2 P08253 1/20 0.46
ENPP2 Q13822 2/20 0.46
MAOA P21397 4/20 0.45
MAOB P27338 4/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL2021199 0.92 KCNH2 (0.53) DRD2DRD4DRD3POLBTDP1
SCHEMBL12576520 0.90 POLB (0.48) POLBTDP1SMN1; SMN2RECQLADAMTS5
SCHEMBL8008833 0.88 ENPP2 (0.58) DRD2DRD4DRD3POLBTDP1
SCHEMBL8008982 0.86 GRIN1 (0.58) DRD2DRD4DRD3AOC3POLB
SCHEMBL2021301 0.85 KCNH2 (0.52) POLBTDP1SMN1; SMN2RECQLADAMTS5
SCHEMBL2018379 0.83 SMN1; SMN2 (0.55) DRD2DRD4DRD3SMN1; SMN2ADAMTS5
SCHEMBL2024131 0.80 KCNH2 (0.67) POLBTDP1SMN1; SMN2ENPP2MAOA
SCHEMBL7999240 0.79 DRD2 (0.50) DRD2ADAMTS5MMP2ENPP2MAPT
SCHEMBL2018529 0.79 GRIN1 (0.58) POLBTDP1SMN1; SMN2RECQLADAMTS5
SCHEMBL31718509 0.79 ENPP2 (0.58) POLBTDP1SMN1; SMN2RECQLENPP2

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 DRD2 654/4885DRD4 1777/4885DRD3 577/4885

“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.