SCHEMBL3697697

SCHEMBL3697697

CCCCCNCc1ccc(Oc2ccc(C(N)=O)cc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.49
OPRM1 P35372 8/20 0.49
OPRD1 P41143 8/20 0.49
S1PR2 O95136 1/20 0.47
S1PR1 P21453 1/20 0.47
S1PR3 Q99500 1/20 0.47
LPAR2 Q9HBW0 1/20 0.47
IL6 P05231 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
PARP10 Q53GL7 1/20 0.44
FAAH O00519 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL13285565 0.87 OPRM1 (0.49) OPRK1OPRM1OPRD1S1PR2S1PR1
SCHEMBL26308155 0.87 OPRK1 (0.51) OPRK1OPRM1OPRD1PARP10
SCHEMBL21628639 0.85 S1PR1 (0.52) OPRK1OPRM1OPRD1S1PR1S1PR3
SCHEMBL3699922 0.85 OPRM1 (0.64) OPRK1OPRM1OPRD1S1PR2S1PR1
SCHEMBL3694628 0.85 OPRK1 (0.49) OPRK1OPRM1OPRD1PARP10
SCHEMBL13285733 0.85 OPRK1 (0.49) OPRK1OPRM1OPRD1PARP10
SCHEMBL21657028 0.84 ICAM1 (0.52) OPRK1OPRM1OPRD1S1PR1S1PR3
SCHEMBL21628641 0.84 S1PR1 (0.55) OPRK1OPRM1OPRD1S1PR1S1PR3
SCHEMBL3691435 0.83 S1PR2 (0.52) OPRK1OPRM1OPRD1S1PR2S1PR1
SCHEMBL3702159 0.83 OPRM1 (0.73) OPRK1OPRM1OPRD1PARP10

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 18 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
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-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-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
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist ELI LILLY AND COMPANY 2006-09-28 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 (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 OPRK1 4/4885OPRM1 1/4885OPRD1 2/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 OPRK1 4/4885OPRM1 1/4885OPRD1 2/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 OPRK1 4/4885OPRM1 1/4885OPRD1 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.