SCHEMBL8006849

SCHEMBL8006849

NC(=O)Nc1ccc(OCC(O)CN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.71
MAPT P10636 3/20 0.57
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CACNA1G O43497 2/20 0.51
USP2 O75604 1/20 0.51
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
HTR7 P34969 1/20 0.48
RECQL P46063 1/20 0.48
HTT P42858 1/20 0.47
ABCB1 P08183 4/20 0.47
CCR1 P32246 1/20 0.46

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
SCHEMBL12576565 0.90 MAPT (0.71) KCNH2MAPTLMNASMN1; SMN2CACNA1G
SCHEMBL2019003 0.90 KCNH2 (0.59) KCNH2MAPK1TSHRHSD17B10ABCB1
SCHEMBL2019005 0.90 KCNH2 (0.59) KCNH2MAPK1TSHRHSD17B10ABCB1
SCHEMBL2022980 0.90 KCNH2 (0.59) KCNH2MAPK1TSHRHSD17B10ABCB1
SCHEMBL11811581 0.87 KCNH2 (0.64) KCNH2MAPTLMNACACNA1GUSP2
SCHEMBL2018551 0.87 KCNH2 (0.68) KCNH2MAPTLMNASMN1; SMN2CACNA1G
SCHEMBL12577245 0.84 KCNH2 (0.61) KCNH2MAPTLMNASMN1; SMN2CACNA1G
SCHEMBL12577704 0.83 KCNH2 (0.71) KCNH2MAPTLMNASMN1; SMN2CACNA1G
SCHEMBL4258171 0.83 KCNH2 (1.00) KCNH2MAPTLMNASMN1; SMN2CACNA1G
SCHEMBL4258169 0.83 KCNH2 (1.00) KCNH2MAPTLMNASMN1; SMN2CACNA1G

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 12 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-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
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 KCNH2 137/4885MAPT 2477/4885LMNA 4281/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885MAPT 704/4885LMNA 4579/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885MAPT 2536/4885LMNA 4298/4885

“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.