SCHEMBL13285381

SCHEMBL13285381

NC(=O)c1ccc(Oc2ccc3c(c2)CCN(CCc2ccccc2)C3)cc1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.77
OPRD1 P41143 13/20 0.77
OPRK1 P41145 11/20 0.77
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
HTR7 P34969 1/20 0.51
HRH1 P35367 1/20 0.51
DRD3 P35462 1/20 0.51
HTR2B P41595 1/20 0.51
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
CARM1 Q86X55 1/20 0.48

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
SCHEMBL3700858 0.89 OPRM1 (0.76) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL3700181 0.87 OPRM1 (1.00) OPRM1OPRD1OPRK1
SCHEMBL3697654 0.83 OPRK1 (1.00) OPRM1OPRD1OPRK1
SCHEMBL3699892 0.82 OPRM1 (1.00) OPRM1OPRD1OPRK1
SCHEMBL3761851 0.82 OPRM1 (1.00) OPRM1OPRD1OPRK1
SCHEMBL3695486 0.82 OPRM1 (0.68) OPRM1OPRD1OPRK1HTR1ADRD2
SCHEMBL3699858 0.82 OPRM1 (0.68) OPRM1OPRD1OPRK1HTR1ADRD2
SCHEMBL3697513 0.81 OPRM1 (1.00) OPRM1OPRD1OPRK1
SCHEMBL12607826 0.80 OPRM1 (0.59) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL3696847 0.78 OPRM1 (1.00) OPRM1OPRD1OPRK1

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 11 patents. 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
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-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

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-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

“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.