SCHEMBL2019019

SCHEMBL2019019

O=C1Cc2cc(OCCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc2N1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.66
GAA P10253 5/20 0.55
ADAMTS5 Q9UNA0 3/20 0.51
MAPT P10636 2/20 0.50
ADAM17 P78536 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
HTR1A P08908 2/20 0.47
HTR7 P34969 2/20 0.47
ENPP2 Q13822 1/20 0.47
MMP2 P08253 1/20 0.47
MMP13 P45452 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
MAOB P27338 2/20 0.47
LMNA P02545 2/20 0.46

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
SCHEMBL2025475 0.92 KCNH2 (0.65) KCNH2GAAADAMTS5MAPTSMN1; SMN2
SCHEMBL2017577 0.91 KCNH2 (0.67) KCNH2GAAADAMTS5MAPTADAM17
SCHEMBL2017573 0.90 MAOB (0.54) KCNH2GAAADAMTS5MAPTADAM17
SCHEMBL2019748 0.88 KCNH2 (0.52) KCNH2GAAADAMTS5MAPTADAM17
SCHEMBL23097620 0.85 KCNH2 (0.69) KCNH2GAAHTR1AHTR7HRH3
SCHEMBL2018263 0.83 SMN1; SMN2 (0.55) KCNH2ADAMTS5SMN1; SMN2ALDH1A1GLA
SCHEMBL2024131 0.82 KCNH2 (0.67) KCNH2MAPTSMN1; SMN2ALDH1A1GLA
SCHEMBL2022580 0.81 GRIN1 (0.59) KCNH2GAAADAMTS5MAPTADAM17
SCHEMBL2018379 0.81 SMN1; SMN2 (0.55) KCNH2GAAADAMTS5MAPTSMN1; SMN2
SCHEMBL3675211 0.79 KCNH2 (1.00) KCNH2MAPTSMN1; SMN2MAPK1HTR7

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 137/4885GAA 4217/4885ADAMTS5 4602/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885GAA 1696/4885ADAMTS5 2168/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885GAA 4301/4885ADAMTS5 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.