SCHEMBL2018551

SCHEMBL2018551

NC(=O)Nc1ccc(OCC(O)CN2CCC(O)(Cc3ccc(Cl)cc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.68
MAPT P10636 4/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CACNA1G O43497 3/20 0.54
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
TSHR P16473 1/20 0.50
HSD17B10 Q99714 1/20 0.50
USP2 O75604 1/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 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
SCHEMBL2023333 0.90 TSHR (0.59) KCNH2SMN1; SMN2GRIN2DGRIN3BADRA1D
SCHEMBL2021955 0.90 TSHR (0.59) KCNH2SMN1; SMN2GRIN2DGRIN3BADRA1D
SCHEMBL2021951 0.90 TSHR (0.59) KCNH2SMN1; SMN2GRIN2DGRIN3BADRA1D
SCHEMBL8006849 0.87 KCNH2 (0.71) KCNH2MAPTLMNASMN1; SMN2CACNA1G
SCHEMBL2021295 0.81 KCNH2 (1.00) KCNH2MAPTLMNASMN1; SMN2CACNA1G
SCHEMBL4258171 0.81 KCNH2 (1.00) KCNH2MAPTLMNASMN1; SMN2CACNA1G
SCHEMBL4258169 0.81 KCNH2 (1.00) KCNH2MAPTLMNASMN1; SMN2CACNA1G
SCHEMBL12576582 0.81 TSHR (0.73) MAPTLMNASMN1; SMN2GRIN2DGRIN3B
SCHEMBL2019005 0.79 KCNH2 (0.59) KCNH2TSHRHSD17B10MAPK1
SCHEMBL2019003 0.79 KCNH2 (0.59) KCNH2TSHRHSD17B10MAPK1

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 5 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-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 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.