SCHEMBL3689296

SCHEMBL3689296

NC(=O)c1ccc(Oc2ccc(C=O)cc2Cl)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 2/20 0.47
TTR P02766 1/20 0.44
PARP10 Q53GL7 1/20 0.43
PARP3 Q9Y6F1 1/20 0.43
OPRM1 P35372 7/20 0.43
OPRD1 P41143 6/20 0.43
OPRK1 P41145 6/20 0.43
ACACB O00763 5/20 0.41
GRM8 O00222 1/20 0.40
GRM7 Q14831 1/20 0.40
GRM4 Q14833 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
GRIN1 Q05586 1/20 0.39
KCNH2 Q12809 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL3691486 0.90 ACACB (0.44) NNMTTTRPARP10PARP3OPRM1
SCHEMBL3694929 0.85 NNMT (0.47) NNMTPARP10PARP3OPRM1OPRD1
SCHEMBL3693461 0.85 NNMT (0.50) NNMTPARP10PARP3OPRM1OPRD1
SCHEMBL3692265 0.84 MAPT (0.57) NNMTTTRABCB1
SCHEMBL3701656 0.82 ALDH1A1 (0.57) NNMTOPRM1OPRD1OPRK1
SCHEMBL3693942 0.80 PARP10 (0.65) TTRPARP10PARP3OPRM1OPRD1
SCHEMBL3692143 0.79 PARP10 (0.67) NNMTPARP10PARP3OPRM1OPRD1
SCHEMBL3696240 0.78 OPRM1 (0.47) NNMTOPRM1OPRD1OPRK1ACACB
SCHEMBL3694642 0.78 PARP10 (0.43) NNMTPARP10PARP3OPRM1OPRD1
SCHEMBL3690711 0.77 MAPK1 (0.54) NNMTABCB1

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2208727-B1 Diaryl ethers as opioid receptor antagonist LILLY CO ELI (US) 2012-08-29 EP disclosed
EP-2208727-B1 Diaryl ethers as opioid receptor antagonist LILLY CO ELI (US) 2012-08-29 EP disclosed
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-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
CN-1305852-C Diaryl ethers as opioid receptor antagonists LILLY CO ELI (US) 2007-03-21 CN disclosed
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY 2006-09-28 US disclosed
CN-1681498-A Diaryl ethers as opioid receptor antagonist LILLY CO ELI (US) 2005-10-12 CN 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 (2 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-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 NNMT 2942/4885TTR 3219/4885PARP10 2461/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 NNMT 3065/4885TTR 3333/4885PARP10 2434/4885

“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.