SCHEMBL2018379

SCHEMBL2018379

O=C1CCc2cc(OCCC(=O)N3CCN(c4ccc(F)c(F)c4)CC3)ccc2N1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 2/20 0.55
GLA P06280 1/20 0.55
ALOX15 P16050 1/20 0.55
MAPK1 P28482 1/20 0.55
KCNH2 Q12809 3/20 0.51
USP2 O75604 2/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
ADAMTS5 Q9UNA0 3/20 0.48
MMP2 P08253 2/20 0.48
DRD2 P14416 7/20 0.47
DRD3 P35462 3/20 0.47
DRD4 P21917 2/20 0.47
SLC6A4 P31645 3/20 0.47
PDE3B Q13370 2/20 0.47
PDE3A Q14432 2/20 0.47
NR3C1 P04150 1/20 0.47
PGR P06401 1/20 0.47
HTR1A P08908 2/20 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
SCHEMBL2019748 0.93 KCNH2 (0.52) SMN1; SMN2ALDH1A1GLAALOX15MAPK1
SCHEMBL2021199 0.91 KCNH2 (0.53) SMN1; SMN2ALDH1A1GLAALOX15MAPK1
SCHEMBL2025475 0.89 KCNH2 (0.65) SMN1; SMN2ALDH1A1GLAALOX15MAPK1
SCHEMBL2018263 0.87 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1GLAALOX15MAPK1
SCHEMBL11218793 0.86 MAPT (0.60) SMN1; SMN2ALDH1A1GLAALOX15MAPK1
SCHEMBL23097594 0.85 DRD2 (0.64) KCNH2DRD2DRD3DRD4SLC6A4
SCHEMBL2021301 0.84 KCNH2 (0.52) SMN1; SMN2ALDH1A1GLAALOX15MAPK1
SCHEMBL8006982 0.83 DRD2 (0.51) SMN1; SMN2ALDH1A1GLAALOX15MAPK1
SCHEMBL11068252 0.82 DRD2 (0.62) SMN1; SMN2ALDH1A1GLAALOX15MAPK1
SCHEMBL11062067 0.81 DRD2 (0.64) SMN1; SMN2ALDH1A1GLAALOX15MAPK1

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 16 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-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
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 SMN1; SMN2 202/4885ALDH1A1 2664/4885GLA 4260/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 SMN1; SMN2 2822/4885ALDH1A1 2039/4885GLA 3209/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 SMN1; SMN2 209/4885ALDH1A1 2668/4885GLA 4222/4885

“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.