SCHEMBL2022084

SCHEMBL2022084

N#Cc1ccccc1N1CCN(C[C@H](O)COc2ccc(O)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 2/20 0.69
HTR7 P34969 2/20 0.61
HTR1A P08908 1/20 0.61
KCNH2 Q12809 2/20 0.58
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
ABCB1 P08183 6/20 0.55
MAPT P10636 1/20 0.54
LMNA P02545 1/20 0.53
CACNA1G O43497 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL2022087 1.00 HSP90AB1 (0.69) HSP90AB1HTR7HTR1AKCNH2KMT2A
SCHEMBL2022083 1.00 HSP90AB1 (0.69) HSP90AB1HTR7HTR1AKCNH2KMT2A
SCHEMBL2021902 0.85 HTR7 (0.74) HTR7KCNH2KMT2AMEN1L3MBTL1
SCHEMBL2021899 0.85 HTR7 (0.74) HTR7KCNH2KMT2AMEN1L3MBTL1
SCHEMBL2021898 0.85 HTR7 (0.74) HTR7KCNH2KMT2AMEN1L3MBTL1
SCHEMBL23097680 0.84 ABCB1 (0.76) HSP90AB1ABCB1MAPT
SCHEMBL8007076 0.84 ABCB1 (0.76) HSP90AB1ABCB1MAPT
SCHEMBL2021392 0.84 LMNA (0.73) HTR7KCNH2KMT2AMEN1L3MBTL1
SCHEMBL2021391 0.84 LMNA (0.73) HTR7KCNH2KMT2AMEN1L3MBTL1
SCHEMBL2021389 0.84 LMNA (0.73) HTR7KCNH2KMT2AMEN1L3MBTL1

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 7 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-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 HSP90AB1 3316/4885HTR7 443/4885HTR1A 1304/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 HSP90AB1 4207/4885HTR7 111/4885HTR1A 68/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 HSP90AB1 3321/4885HTR7 435/4885HTR1A 1268/4885

“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.