SCHEMBL3688043

SCHEMBL3688043

Cc1cc(CNCCC2CCCC2)ccc1Oc1ccc(C(N)=O)nc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
MCHR1 Q99705 3/20 0.48
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CARM1 Q86X55 3/20 0.38
PRMT6 Q96LA8 3/20 0.38
PDGFRA P16234 2/20 0.38
SRC P12931 1/20 0.37
SCN9A Q15858 3/20 0.37
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
ACACB O00763 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL3693716 0.96 OPRM1 (0.46) OPRM1OPRD1OPRK1MCHR1PDE4A
SCHEMBL13773065 0.90 OPRM1 (0.48) OPRM1OPRD1OPRK1MCHR1PDE4A
SCHEMBL3690281 0.89 OPRK1 (0.49) OPRM1OPRD1OPRK1MCHR1PDE4A
SCHEMBL3698907 0.87 OPRM1 (0.46) OPRM1OPRD1OPRK1MCHR1PDE4A
SCHEMBL13773064 0.86 OPRM1 (0.65) OPRM1OPRD1OPRK1MCHR1ACACB
SCHEMBL3697617 0.84 OPRM1 (0.59) OPRM1OPRD1OPRK1MCHR1SCN9A
SCHEMBL13773058 0.83 OPRM1 (0.53) OPRM1OPRD1OPRK1CARM1PRMT6
SCHEMBL3888284 0.82 OPRM1 (0.46) OPRM1OPRD1OPRK1MCHR1PDE4A
SCHEMBL13773054 0.81 OPRM1 (0.48) OPRM1OPRD1OPRK1HPGD
SCHEMBL3702300 0.81 OPRM1 (0.47) OPRM1OPRD1OPRK1MCHR1SCN9A

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 12 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
CN-1305852-C Diaryl ethers as opioid receptor antagonists LILLY CO ELI (US) 2007-03-21 CN 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.