SCHEMBL1422019

SCHEMBL1422019

NC(=O)Nc1ccc(OCCCN2CCN(c3ccc(F)c(F)c3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.56
KCNH2 Q12809 1/20 0.52
DRD2 P14416 6/20 0.52
HTR1A P08908 4/20 0.52
DRD3 P35462 3/20 0.52
DRD1 P21728 1/20 0.52
DRD5 P21918 1/20 0.52
MAPT P10636 3/20 0.51
HRH3 Q9Y5N1 4/20 0.50
EPHX2 P34913 2/20 0.49
HRH1 P35367 2/20 0.48
TMEM97 Q5BJF2 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
CACNA1G O43497 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL2020791 0.88 DRD2 (0.64) HTR2AKCNH2DRD2HTR1ADRD3
SCHEMBL23097615 0.87 HTR2A (0.63) HTR2ADRD2HTR1ADRD3DRD1
SCHEMBL23097610 0.86 KCNH2 (0.69) HTR2AKCNH2DRD2HTR1ADRD3
SCHEMBL23097760 0.85 HTR2A (0.56) HTR2AKCNH2DRD2HTR1AMAPT
SCHEMBL23097574 0.85 DRD3 (0.58) HTR2AKCNH2DRD2HTR1ADRD3
SCHEMBL23097743 0.85 DRD2 (0.62) HTR2AKCNH2DRD2HTR1ADRD3
SCHEMBL23097619 0.85 MAPT (0.58) HTR2AKCNH2DRD2HTR1ADRD3
SCHEMBL1422729 0.85 HTR2A (0.57) HTR2ADRD2HTR1ADRD3DRD1
SCHEMBL23097759 0.85 MAPT (0.59) HTR2AKCNH2DRD2HTR1ADRD3
SCHEMBL23097688 0.84 SLC6A2 (0.57) HTR2AKCNH2DRD2HTR1ADRD3

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 23 patents — showing the first 20. 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-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 US disclosed
EP-2296658-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS Emory University (US) 2011-03-23 EP disclosed
EP-2170334-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION Emory University (US) 2010-04-07 EP disclosed
WO-2009137843-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS EMORY UNIVERSITY (US) 2009-11-12 WO 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
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 HTR2A 1420/4885KCNH2 137/4885DRD2 696/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 HTR2A 64/4885KCNH2 469/4885DRD2 95/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 HTR2A 1333/4885KCNH2 135/4885DRD2 654/4885

“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.