SCHEMBL2019748

SCHEMBL2019748

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
ADAMTS5 Q9UNA0 5/20 0.50
MMP2 P08253 3/20 0.50
MAOB P27338 2/20 0.50
ADAM17 P78536 1/20 0.49
MMP13 P45452 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GLA P06280 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 5/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
DRD2 P14416 3/20 0.44
DRD4 P21917 3/20 0.44
SSTR1 P30872 3/20 0.44
SSTR2 P30874 3/20 0.44
SSTR4 P31391 3/20 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
SCHEMBL2018379 0.93 SMN1; SMN2 (0.55) KCNH2ADAMTS5MMP2MAOBMMP13
SCHEMBL2021301 0.91 KCNH2 (0.52) KCNH2ADAMTS5MMP2MAOBADAM17
SCHEMBL2019019 0.88 KCNH2 (0.66) KCNH2ADAMTS5MMP2MAOBADAM17
SCHEMBL2017573 0.86 MAOB (0.54) KCNH2ADAMTS5MMP2MAOBADAM17
SCHEMBL23097687 0.85 KCNH2 (0.54) KCNH2MAOBGAADRD2DRD4
SCHEMBL2021199 0.83 KCNH2 (0.53) KCNH2ADAMTS5MMP2MAOBSMN1; SMN2
SCHEMBL2025475 0.81 KCNH2 (0.65) KCNH2ADAMTS5MAOBSMN1; SMN2ALDH1A1
SCHEMBL2020624 0.80 KCNH2 (0.79) KCNH2SMN1; SMN2ALDH1A1MAPK1GAA
SCHEMBL2022536 0.80 MAOB (0.49) KCNH2MAOBSMN1; SMN2GAADRD2
SCHEMBL2019065 0.80 KCNH2 (0.79) KCNH2SMN1; SMN2ALDH1A1MAPK1GAA

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 KCNH2 137/4885ADAMTS5 4602/4885MMP2 4658/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885ADAMTS5 2168/4885MMP2 4794/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885ADAMTS5 4596/4885MMP2 4616/4885

“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.