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SCHEMBL2018877

SCHEMBL2018877

CS(=O)(=O)Nc1ccc(OC[C@H](O)CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.80
▸ ADRB2 P07550 6/20 0.74
▸ ADRB1 P08588 6/20 0.74
▸ ADRB3 P13945 6/20 0.74
▸ GRIN1 Q05586 1/20 0.66
▸ GRIN2B Q13224 1/20 0.66
▸ MAPT P10636 6/20 0.65
▸ HTT P42858 1/20 0.65
▸ LMNA P02545 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ RECQL P46063 1/20 0.57
▸ TP53 P04637 1/20 0.56
▸ SLC6A2 P23975 1/20 0.55
▸ SLC6A3 Q01959 1/20 0.55
▸ HTR7 P34969 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ NLRP3 Q96P20 1/20 0.54

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
SCHEMBL2018875 1.00 KCNH2 (0.80) KCNH2ADRB2ADRB1ADRB3GRIN1
SCHEMBL2018873 1.00 KCNH2 (0.80) KCNH2ADRB2ADRB1ADRB3GRIN1
SCHEMBL8009025 0.92 KCNH2 (0.79) KCNH2ADRB2ADRB1ADRB3GRIN1
SCHEMBL2024829 0.89 KCNH2 (1.00) KCNH2ADRB2ADRB1ADRB3MAPT
SCHEMBL2024826 0.89 KCNH2 (1.00) KCNH2ADRB2ADRB1ADRB3MAPT
SCHEMBL2024828 0.89 KCNH2 (1.00) KCNH2ADRB2ADRB1ADRB3MAPT
SCHEMBL2017563 0.86 KCNH2 (0.77) KCNH2ADRB2ADRB1ADRB3MAPT
SCHEMBL1422407 0.86 KCNH2 (0.77) KCNH2ADRB2ADRB1ADRB3MAPT
SCHEMBL1422302 0.86 KCNH2 (0.77) KCNH2ADRB2ADRB1ADRB3MAPT
SCHEMBL2015405 0.86 KCNH2 (0.83) KCNH2ADRB2ADRB1ADRB3MAPT

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 6 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
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 137/4885ADRB2 509/4885ADRB1 388/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885ADRB2 418/4885ADRB1 498/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885ADRB2 501/4885ADRB1 377/4885

“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.