SCHEMBL2021955

SCHEMBL2021955

NC(=O)Nc1ccc(OCC(O)CN2CCC(O)(Cc3ccccc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.59
HSD17B10 Q99714 2/20 0.59
KCNH2 Q12809 1/20 0.57
CYP2D6 P10635 2/20 0.50
GRIN2D O15399 1/20 0.50
GRIN3B O60391 1/20 0.50
ADRA1D P25100 1/20 0.50
ADRA1A P35348 1/20 0.50
ADRA1B P35368 1/20 0.50
GRIN1 Q05586 1/20 0.50
GRIN2A Q12879 1/20 0.50
GRIN2B Q13224 1/20 0.50
GRIN2C Q14957 1/20 0.50
GRIN3A Q8TCU5 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.49

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
SCHEMBL2021951 1.00 TSHR (0.59) TSHRHSD17B10KCNH2CYP2D6GRIN2D
SCHEMBL2023333 1.00 TSHR (0.59) TSHRHSD17B10KCNH2CYP2D6GRIN2D
SCHEMBL2018551 0.90 KCNH2 (0.68) TSHRHSD17B10KCNH2GRIN2DGRIN3B
SCHEMBL12576582 0.90 TSHR (0.73) TSHRHSD17B10CYP2D6GRIN2DGRIN3B
SCHEMBL2022980 0.86 KCNH2 (0.59) TSHRHSD17B10KCNH2L3MBTL1MAPK1
SCHEMBL2019005 0.86 KCNH2 (0.59) TSHRHSD17B10KCNH2L3MBTL1MAPK1
SCHEMBL2019003 0.86 KCNH2 (0.59) TSHRHSD17B10KCNH2L3MBTL1MAPK1
SCHEMBL7288192 0.84 GRIN2D (0.57) TSHRHSD17B10CYP2D6GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL7289370 0.83 L3MBTL1 (0.57) TSHRHSD17B10CYP2D6GRIN2DGRIN3B
SCHEMBL7295801 0.83 GRIN2D (0.71) TSHRHSD17B10CYP2D6GRIN2DGRIN3B

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 17 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-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-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-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 US disclosed
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 US disclosed
WO-2009137843-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS EMORY UNIVERSITY (US) 2009-11-12 WO 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
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 US disclosed
WO-2009006437-A1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION EMORY UNIVERSITY (US) 2009-01-08 WO 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 TSHR 1062/4885HSD17B10 2555/4885KCNH2 137/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 TSHR 407/4885HSD17B10 1702/4885KCNH2 469/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 TSHR 1080/4885HSD17B10 2470/4885KCNH2 135/4885

“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.