SCHEMBL4965288

SCHEMBL4965288

NC(=O)c1ccc(Oc2ccc(CNCCC3CCOCC3)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.46
OPRD1 P41143 7/20 0.46
OPRK1 P41145 7/20 0.46
TP53 P04637 1/20 0.35
KCNH2 Q12809 3/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
ROCK1 Q13464 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MCHR1 Q99705 2/20 0.34
SCN5A Q14524 1/20 0.34

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
SCHEMBL4964061 0.91 OPRM1 (0.41) OPRM1OPRD1OPRK1KCNH2GRIN2D
SCHEMBL4964656 0.83 OPRM1 (0.44) OPRM1OPRD1OPRK1KCNH2GRIN2D
SCHEMBL4966455 0.81 SLC8A1 (0.42) OPRM1OPRD1OPRK1KCNH2GRIN2D
SCHEMBL4963752 0.80 HDAC6 (0.48) OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL4964102 0.78 OPRM1 (0.43) OPRM1OPRD1OPRK1TP53KCNH2
SCHEMBL14132128 0.76 OPRM1 (0.67) OPRM1OPRD1OPRK1KCNH2GRIN2D
SCHEMBL4965706 0.76 OPRM1 (0.43) OPRM1OPRD1OPRK1TP53KCNH2
SCHEMBL3705019 0.76 OPRM1 (0.47) OPRM1OPRD1OPRK1KCNH2GRIN2D
SCHEMBL3692196 0.76 OPRM1 (0.63) OPRM1OPRD1OPRK1KCNH2GRIN2D
SCHEMBL4963716 0.75 LTA4H (0.55) OPRM1OPRD1OPRK1KCNH2GRIN2D

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 7 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 disclosed
US-7396943-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-08 US disclosed
US-7396943-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-07-08 US 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.