SCHEMBL3699403

SCHEMBL3699403

CC(c1ccccc1)N1CCN(Cc2ccc(Oc3ccc(C(N)=O)cn3)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 17/20 0.61
OPRK1 P41145 14/20 0.61
OPRD1 P41143 11/20 0.61
HDAC4 P56524 1/20 0.57
HDAC1 Q13547 1/20 0.57
ABCB1 P08183 1/20 0.55
HRH3 Q9Y5N1 1/20 0.51
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
GRIN1 Q05586 1/20 0.51
KCNH2 Q12809 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
ROCK1 Q13464 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51

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
SCHEMBL13285538 1.00 OPRM1 (0.61) OPRM1OPRK1OPRD1HDAC4HDAC1
SCHEMBL3692194 0.90 OPRM1 (0.63) OPRM1OPRK1OPRD1HDAC4HDAC1
SCHEMBL3701753 0.88 ABCB1 (0.60) OPRM1OPRK1OPRD1ABCB1HRH3
SCHEMBL3690861 0.88 OPRM1 (0.76) OPRM1OPRK1OPRD1ABCB1GRIN2D
SCHEMBL3692386 0.83 OPRM1 (0.66) OPRM1OPRK1OPRD1ABCB1GRIN2D
SCHEMBL3694217 0.82 OPRM1 (0.71) OPRM1OPRK1OPRD1GRIN2DGRIN3B
SCHEMBL3702020 0.81 OPRM1 (0.66) OPRM1OPRK1OPRD1ABCB1GRIN2D
SCHEMBL3692195 0.81 OPRM1 (0.64) OPRM1OPRK1OPRD1ABCB1HRH3
SCHEMBL3691130 0.80 OPRM1 (0.70) OPRM1OPRK1OPRD1ABCB1GRIN2D
SCHEMBL3697049 0.78 OPRM1 (0.61) OPRM1OPRK1OPRD1ABCB1GRIN2D

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 10 patents. claimed = in the patent's claims; disclosed = body only.

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