SCHEMBL2018529

SCHEMBL2018529

O=C1CCc2cc(OCC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)ccc2N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.58
GRIN2B Q13224 1/20 0.58
KCNH2 Q12809 2/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 2/20 0.52
GLA P06280 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
USP2 O75604 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
NR3C1 P04150 1/20 0.48
PGR P06401 1/20 0.48
SLC6A4 P31645 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 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
SCHEMBL8008982 0.92 GRIN1 (0.58) GRIN1GRIN2BKCNH2PGRSLC6A4
SCHEMBL15451474 0.92 NPC1 (0.54) GRIN1GRIN2BKCNH2SMN1; SMN2ALDH1A1
SCHEMBL2022580 0.91 GRIN1 (0.59) GRIN1GRIN2BKCNH2MAPK1HTT
SCHEMBL2018263 0.91 SMN1; SMN2 (0.55) GRIN1GRIN2BKCNH2SMN1; SMN2ALDH1A1
SCHEMBL2024131 0.90 KCNH2 (0.67) KCNH2SMN1; SMN2ALDH1A1GLAALOX15
SCHEMBL2021199 0.86 KCNH2 (0.53) KCNH2SMN1; SMN2ALDH1A1GLAALOX15
SCHEMBL8007271 0.86 ALDH1A1 (0.58) KCNH2SMN1; SMN2ALDH1A1GLAALOX15
SCHEMBL31718509 0.85 ENPP2 (0.58) KCNH2SMN1; SMN2ALDH1A1GLAALOX15
SCHEMBL2017573 0.83 MAOB (0.54) GRIN1GRIN2BKCNH2SMN1; SMN2ALDH1A1
SCHEMBL23097686 0.82 DRD2 (0.64) KCNH2PGRSLC6A4PDE3ATDP1

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 19 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
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-9079852-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2015-07-14 US 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-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection LIOTTA DENNIS C (US) 2014-01-30 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-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
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 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
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 7/4885KCNH2 137/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 GRIN1 3/4885GRIN2B 2/4885KCNH2 469/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 GRIN1 1/4885GRIN2B 7/4885KCNH2 135/4885

“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.