SCHEMBL2016782

SCHEMBL2016782

CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN2CCN(c3ccc(Cl)cc3)C2=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.68
GRIN1 Q05586 2/20 0.57
GRIN2B Q13224 2/20 0.57
ADRB1 P08588 5/20 0.55
ADRB2 P07550 4/20 0.55
ADRB3 P13945 4/20 0.55
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HTR7 P34969 1/20 0.45
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
CYP1A1 P04798 1/20 0.44

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
SCHEMBL2016784 1.00 KCNH2 (0.68) KCNH2GRIN1GRIN2BADRB1ADRB2
SCHEMBL2016246 0.90 GRIN1 (0.72) KCNH2GRIN1GRIN2BADRB1ADRB2
SCHEMBL2016248 0.90 GRIN1 (0.72) KCNH2GRIN1GRIN2BADRB1ADRB2
SCHEMBL12576482 0.85 MAPT (0.68) KCNH2ADRB1ADRB2ADRB3MAPT
SCHEMBL2044513 0.85 KCNH2 (0.75) KCNH2ADRB1ADRB2ADRB3MAPT
SCHEMBL2044516 0.85 KCNH2 (0.75) KCNH2ADRB1ADRB2ADRB3MAPT
SCHEMBL12577213 0.85 TSHR (0.53) KCNH2MAPTLMNASMN1; SMN2HTR7
SCHEMBL14864581 0.84 MAPT (0.55) KCNH2MAPTLMNASMN1; SMN2HTR7
SCHEMBL2025768 0.84 KCNH2 (0.61) KCNH2MAPTLMNASMN1; SMN2HTR7
SCHEMBL2025770 0.84 KCNH2 (0.61) KCNH2MAPTLMNASMN1; SMN2HTR7

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 10 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-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-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-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
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 137/4885GRIN1 1/4885GRIN2B 7/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885GRIN1 3/4885GRIN2B 2/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885GRIN1 1/4885GRIN2B 7/4885

“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.