SCHEMBL2020741

SCHEMBL2020741

CS(=O)(=O)Nc1ccc(OC[C@H](O)CN2CCN(c3ccccc3)CC2)cc1

nearest known ligand 0.92

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.92
ADRB1 P08588 6/20 0.92
ADRB3 P13945 6/20 0.92
KCNH2 Q12809 1/20 0.81
MAPT P10636 5/20 0.69
MAPK1 P28482 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
HTR7 P34969 3/20 0.67
ALDH1A1 P00352 2/20 0.65
LMNA P02545 1/20 0.65
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.63
ALOX15 P16050 1/20 0.62
MEN1 O00255 1/20 0.58

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
SCHEMBL2020739 1.00 ADRB2 (0.92) ADRB2ADRB1ADRB3KCNH2MAPT
SCHEMBL2020737 1.00 ADRB2 (0.92) ADRB2ADRB1ADRB3KCNH2MAPT
SCHEMBL8781535 0.96 ADRB2 (1.00) ADRB2ADRB1ADRB3KCNH2MAPT
SCHEMBL2015406 0.91 KCNH2 (0.83) ADRB2ADRB1ADRB3KCNH2MAPT
SCHEMBL2015405 0.91 KCNH2 (0.83) ADRB2ADRB1ADRB3KCNH2MAPT
SCHEMBL2015407 0.91 KCNH2 (0.83) ADRB2ADRB1ADRB3KCNH2MAPT
SCHEMBL2022249 0.90 KCNH2 (0.78) ADRB2ADRB1ADRB3KCNH2MAPT
SCHEMBL2024828 0.90 KCNH2 (1.00) ADRB2ADRB1ADRB3KCNH2MAPT
SCHEMBL2024829 0.90 KCNH2 (1.00) ADRB2ADRB1ADRB3KCNH2MAPT
SCHEMBL2022251 0.90 KCNH2 (0.78) ADRB2ADRB1ADRB3KCNH2MAPT

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 ADRB2 509/4885ADRB1 388/4885ADRB3 704/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 ADRB2 418/4885ADRB1 498/4885ADRB3 870/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 ADRB2 501/4885ADRB1 377/4885ADRB3 667/4885

“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.