SCHEMBL3697994

SCHEMBL3697994

[CH2]Cc1ccc(Oc2cccc(C(N)=O)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.61
P2RX3 P56373 17/20 0.48
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ST14 Q9Y5Y6 1/20 0.44

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
SCHEMBL3696055 0.84 OPRM1 (0.67) OPRM1P2RX3F2F10PRSS1
Hydrochloric Acid SCHEMBL6479738 0.83 OPRM1 (0.56) OPRM1P2RX3
Hydrochloric Acid SCHEMBL6479732 0.83 OPRM1 (0.56) OPRM1P2RX3
SCHEMBL725893 0.82 OPRM1 (0.62) OPRM1P2RX3F2F10PRSS1
SCHEMBL28748015 0.80 OPRM1 (0.65) OPRM1P2RX3F2F10PRSS1
SCHEMBL30261671 0.79 OPRM1 (0.53) OPRM1P2RX3F2F10PRSS1
SCHEMBL6223063 0.77 OPRM1 (0.74) OPRM1P2RX3
SCHEMBL6630918 0.77 F2 (0.42) OPRM1F2F10PRSS1PRSS2
SCHEMBL3702023 0.76 OPRM1 (1.00) OPRM1
SCHEMBL3691341 0.74 OPRM1 (0.62) OPRM1P2RX3

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 6 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
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
EP-1562595-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-08-17 EP disclosed
WO-2004026305-A9 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST LILLY CO ELI (US) 2004-05-13 WO 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 (1 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-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 OPRM1 1/4885P2RX3 251/4885F2 2218/4885

“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.