SCHEMBL7997522

SCHEMBL7997522

O=C(COc1ccc2[nH]c(=O)[nH]c2c1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.60
GRIN2B Q13224 1/20 0.60
RAB9A P51151 1/20 0.53
DRD2 P14416 2/20 0.53
KCNH2 Q12809 1/20 0.52
MAPT P10636 3/20 0.51
ENPP2 Q13822 4/20 0.50
HTT P42858 2/20 0.49
MAPK1 P28482 1/20 0.49
DRD1 P21728 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL8007020 0.89 KCNH2 (0.65) RAB9ADRD2KCNH2MAPTENPP2
SCHEMBL2022360 0.86 GRIN1 (0.56) GRIN1GRIN2BRAB9AKCNH2MAPT
SCHEMBL8010801 0.85 DRD2 (0.48) DRD2KCNH2MAPTENPP2MAPK1
SCHEMBL7999240 0.85 DRD2 (0.50) DRD2KCNH2MAPTENPP2HTT
SCHEMBL2016624 0.85 GRIN1 (0.55) GRIN1GRIN2BRAB9AKCNH2MAPT
SCHEMBL8012931 0.85 MEN1 (0.55) DRD2KCNH2MAPTENPP2MAPK1
SCHEMBL8006950 0.82 GRIN1 (0.70) GRIN1GRIN2BRAB9AMAPTENPP2
SCHEMBL12576407 0.81 GRIN1 (0.72) GRIN1GRIN2BRAB9AMAPTENPP2
SCHEMBL2022580 0.80 GRIN1 (0.59) GRIN1GRIN2BRAB9AKCNH2MAPT
SCHEMBL8007637 0.79 GRIN1 (0.58) GRIN1GRIN2BRAB9AMAPTENPP2

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 10 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
US-8420680-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2013-04-16 US disclosed
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 US disclosed
WO-2009137843-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS EMORY UNIVERSITY (US) 2009-11-12 WO disclosed
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 US disclosed
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 US 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 (3 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-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 GRIN1 1/4885GRIN2B 7/4885RAB9A 3577/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 GRIN1 3/4885GRIN2B 2/4885RAB9A 3279/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 GRIN1 1/4885GRIN2B 7/4885RAB9A 3413/4885

“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.