SCHEMBL4965747

SCHEMBL4965747

NC(=O)c1ccc(Oc2ncc(CNCCc3ccc(F)cc3)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.54
OPRD1 P41143 12/20 0.54
OPRK1 P41145 10/20 0.54
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
GRIN1 Q05586 1/20 0.52
KCNH2 Q12809 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
ROCK1 Q13464 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
MAOB P27338 1/20 0.46
PARP10 Q53GL7 1/20 0.46
LTA4H P09960 2/20 0.45
EPHX2 P34913 2/20 0.45
HDAC1 Q13547 2/20 0.42
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL4963629 0.84 KMT2A (0.48) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL4964063 0.83 OPRM1 (0.53) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3700420 0.81 OPRM1 (0.79) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL4965841 0.80 OPRM1 (0.41) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL4964019 0.80 SLC8A1 (0.50) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL4963654 0.79 SLC8A1 (0.44) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3697152 0.78 OPRM1 (0.82) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3702966 0.77 OPRM1 (0.70) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL4965435 0.75 PARP15 (0.50) OPRM1OPRD1OPRK1PARP10
SCHEMBL3695244 0.73 OPRM1 (0.81) OPRM1OPRD1OPRK1GRIN2DGRIN3B

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606275-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-27 EP claimed
US-20060166987-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2006-07-27 US claimed
EP-1606275-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-12-21 EP claimed
WO-2004080996-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-09-23 WO claimed
EP-1606275-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-08-27 EP disclosed
US-7396943-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
US-20060166987-A1 Opioid receptor antagonists ELI LILLY AND COMPANY 2006-07-27 US disclosed
EP-1606275-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-12-21 EP disclosed
WO-2004080996-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2004-09-23 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 (1 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-20060166987-A1 Opioid receptor antagonists OPRM1, OPRD1, OPRK1 OPRM1 1/4885OPRD1 2/4885OPRK1 3/4885

“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.