SCHEMBL3699088

SCHEMBL3699088

CC(C)CCNCCc1ccc(Oc2ccc(C(N)=O)cn2)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 15/20 0.76
OPRD1 P41143 14/20 0.76
OPRK1 P41145 11/20 0.76
GRIN2D O15399 1/20 0.69
GRIN3B O60391 1/20 0.69
SLC6A2 P23975 1/20 0.69
SLC6A3 Q01959 1/20 0.69
GRIN1 Q05586 1/20 0.69
KCNH2 Q12809 1/20 0.69
GRIN2A Q12879 1/20 0.69
GRIN2B Q13224 1/20 0.69
ROCK1 Q13464 1/20 0.69
GRIN2C Q14957 1/20 0.69
GRIN3A Q8TCU5 1/20 0.69
ACACB O00763 4/20 0.50
ACACA Q13085 3/20 0.50
ADRB1 P08588 1/20 0.48
ADRB3 P13945 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
SCHEMBL3697566 0.93 OPRM1 (0.73) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL1532866 0.90 OPRM1 (0.70) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3693310 0.90 OPRM1 (0.74) OPRM1OPRD1OPRK1GRIN2DGRIN3B
Hydrochloric Acid SCHEMBL4864446 0.89 OPRM1 (0.69) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3693468 0.88 OPRM1 (0.81) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3701424 0.86 OPRM1 (0.79) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3697531 0.86 OPRM1 (1.00) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL6685812 0.86 OPRM1 (0.72) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3694759 0.86 OPRM1 (0.61) OPRM1OPRD1OPRK1GRIN2DGRIN3B
SCHEMBL3699946 0.86 OPRM1 (0.78) OPRM1OPRD1OPRK1GRIN2DGRIN3B

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 9 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
WO-2004026305-A9 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST LILLY CO ELI (US) 2004-05-13 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 1/4885OPRD1 2/4885OPRK1 4/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 OPRM1 1/4885OPRD1 2/4885OPRK1 4/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 OPRM1 1/4885OPRD1 3/4885OPRK1 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.