SCHEMBL2017573

SCHEMBL2017573

O=C1Cc2cc(OCCC(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)ccc2N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.54
KCNH2 Q12809 1/20 0.54
ADAMTS5 Q9UNA0 3/20 0.53
MMP2 P08253 1/20 0.50
ADAM17 P78536 1/20 0.49
GRIN1 Q05586 2/20 0.48
GRIN2B Q13224 2/20 0.48
RAB9A P51151 1/20 0.48
GAA P10253 4/20 0.46
MAPK1 P28482 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45

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
SCHEMBL2018263 0.93 SMN1; SMN2 (0.55) MAOBKCNH2ADAMTS5MMP2GRIN1
SCHEMBL2022580 0.91 GRIN1 (0.59) MAOBKCNH2ADAMTS5MMP2ADAM17
SCHEMBL2019019 0.90 KCNH2 (0.66) MAOBKCNH2ADAMTS5MMP2ADAM17
SCHEMBL2019748 0.86 KCNH2 (0.52) MAOBKCNH2ADAMTS5MMP2ADAM17
SCHEMBL23097612 0.85 MAOB (0.57) MAOBKCNH2GAAALDH1A1SMN1; SMN2
SCHEMBL2025475 0.83 KCNH2 (0.65) MAOBKCNH2ADAMTS5GAAMAPK1
SCHEMBL2018529 0.83 GRIN1 (0.58) KCNH2ADAMTS5MMP2GRIN1GRIN2B
SCHEMBL23097796 0.81 ADAMTS5 (0.50) ADAMTS5MMP2GRIN1GRIN2BRAB9A
SCHEMBL2017577 0.81 KCNH2 (0.67) KCNH2ADAMTS5ADAM17GAAALDH1A1
SCHEMBL2016808 0.80 MAOB (0.53) MAOBKCNH2GRIN1GRIN2BGAA

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 MAOB 3646/4885KCNH2 137/4885ADAMTS5 4602/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 MAOB 306/4885KCNH2 469/4885ADAMTS5 2168/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 MAOB 3615/4885KCNH2 135/4885ADAMTS5 4596/4885

“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.