SCHEMBL2018870

SCHEMBL2018870

O=c1[nH]c2ccc(OC[C@H](O)CNCCNc3ccc(Cl)cc3)cc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.57
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ADRB1 P08588 6/20 0.44
ADRB2 P07550 5/20 0.43
ADRB3 P13945 5/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
TSHR P16473 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL2018867 1.00 KCNH2 (0.57) KCNH2KMT2AMEN1MAPK1MAPT
SCHEMBL2018868 1.00 KCNH2 (0.57) KCNH2KMT2AMEN1MAPK1MAPT
SCHEMBL1422039 0.80 KCNH2 (0.57) KCNH2KMT2AMEN1MAPK1MAPT
SCHEMBL1422041 0.80 KCNH2 (0.57) KCNH2KMT2AMEN1MAPK1MAPT
SCHEMBL1422036 0.80 KCNH2 (0.57) KCNH2KMT2AMEN1MAPK1MAPT
SCHEMBL11237765 0.74 ADRB1 (0.64) KCNH2KMT2AMEN1MAPK1MAPT
SCHEMBL2027624 0.72 KCNH2 (1.00) KCNH2KMT2AMAPK1MAPTSMN1; SMN2
SCHEMBL1422457 0.72 KCNH2 (1.00) KCNH2KMT2AMAPK1MAPTSMN1; SMN2
SCHEMBL1422164 0.72 KCNH2 (1.00) KCNH2KMT2AMAPK1MAPTSMN1; SMN2
SCHEMBL8006974 0.70 KCNH2 (0.95) KCNH2KMT2AMAPK1MAPTSMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 US 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 137/4885KMT2A 685/4885MEN1 3672/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885KMT2A 410/4885MEN1 2505/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885KMT2A 701/4885MEN1 3627/4885

“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.