SCHEMBL3761986

SCHEMBL3761986

CC(C)(C)OC(=O)NCCc1cc(F)c(Oc2ccc(C(N)=O)cn2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.45
OPRD1 P41143 8/20 0.45
OPRK1 P41145 7/20 0.45
KCNH2 Q12809 2/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
ROCK1 Q13464 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
NNMT P40261 2/20 0.40
GABRA5 P31644 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
SCN9A Q15858 2/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL3696015 0.84 OPRM1 (0.65) OPRM1OPRD1OPRK1KCNH2GRIN2D
SCHEMBL3698851 0.83 ACACB (0.41) OPRM1CA1CA2SCN9AFEN1
SCHEMBL3691751 0.83 OPRM1 (0.53) OPRM1OPRD1OPRK1KCNH2GRIN2D
SCHEMBL3698258 0.82 OPRM1 (0.47) OPRM1OPRD1OPRK1KCNH2GRIN2D
SCHEMBL13285793 0.81 OPRM1 (0.46) OPRM1OPRD1OPRK1KCNH2GRIN2D
SCHEMBL13773052 0.81 OPRM1 (0.46) OPRM1OPRD1OPRK1KCNH2GRIN2D
SCHEMBL3694857 0.81 NNMT (0.48) OPRM1OPRD1OPRK1KCNH2GRIN2D
SCHEMBL6222362 0.80 OPRM1 (0.56) OPRM1OPRD1OPRK1KCNH2GRIN2D
SCHEMBL3696849 0.79 OPRM1 (0.55) OPRM1OPRD1OPRK1KCNH2GRIN2D
SCHEMBL3699383 0.79 OPRM1 (0.53) 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2208727-A1 Diaryl ethers as opioid receptor antagonist Eli Lilly & Company (US) 2010-07-21 EP disclosed
EP-2208727-A1 Diaryl ethers as opioid receptor antagonist Eli Lilly & Company (US) 2010-07-21 EP disclosed
US-7560463-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-07-14 US disclosed
US-7560463-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-07-14 US disclosed
US-7560463-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-07-14 US disclosed
US-7531557-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-05-12 US disclosed
US-7531557-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-05-12 US disclosed
US-7531557-B2 Diaryl ethers as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2009-05-12 US disclosed
US-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS BLANCO-PILLADO MARIA-JESUS 2008-10-30 US disclosed
US-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS BLANCO-PILLADO MARIA-JESUS 2008-10-30 US disclosed
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2008-10-16 US disclosed
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY 2008-10-16 US disclosed
US-7381719-B2 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY (US) 2008-06-03 US disclosed
US-7381719-B2 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY (US) 2008-06-03 US disclosed
US-7381719-B2 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY (US) 2008-06-03 US disclosed
EP-1562595-B1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-05-21 EP disclosed
EP-1562595-B1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-05-21 EP disclosed
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY 2006-09-28 US disclosed
EP-1562595-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-08-17 EP disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 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-20080269296-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 OPRM1 1/4885OPRD1 2/4885OPRK1 4/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 OPRM1 1/4885OPRD1 2/4885OPRK1 4/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 OPRM1 1/4885OPRD1 3/4885OPRK1 4/4885

“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.