SCHEMBL3700762

SCHEMBL3700762

CCOc1cc(CNCCC(C)C)ccc1Oc1ccc(C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
OPRM1 P35372 5/20 0.47
OPRD1 P41143 5/20 0.47
OPRK1 P41145 5/20 0.47
NPSR1 Q6W5P4 2/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PARP10 Q53GL7 1/20 0.44
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43
F7 P08709 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42

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
SCHEMBL3702100 0.86 OPRM1 (0.49) L3MBTL1MEN1KMT2AOPRM1OPRD1
SCHEMBL3691156 0.86 CARM1 (0.51) L3MBTL1MEN1KMT2AOPRM1OPRD1
SCHEMBL3699634 0.85 OPRM1 (0.48) L3MBTL1MEN1KMT2AOPRM1OPRD1
SCHEMBL3701283 0.83 NPSR1 (0.52) L3MBTL1MEN1KMT2AOPRM1OPRD1
SCHEMBL3700923 0.83 OPRM1 (0.46) L3MBTL1MEN1KMT2AOPRM1OPRD1
SCHEMBL3700891 0.82 OPRM1 (0.50) L3MBTL1MEN1KMT2AOPRM1OPRD1
SCHEMBL3694628 0.81 OPRK1 (0.49) L3MBTL1OPRM1OPRD1OPRK1NPSR1
SCHEMBL3693713 0.81 OPRK1 (0.49) L3MBTL1OPRM1OPRD1OPRK1NPSR1
SCHEMBL3691155 0.81 OPRM1 (0.49) L3MBTL1MEN1KMT2AOPRM1OPRD1
SCHEMBL3239373 0.78 PARP10 (0.62) OPRM1OPRD1OPRK1MAPK1MAPT

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 21 patents — showing the first 20. 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-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
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-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 L3MBTL1 442/4885MEN1 4617/4885KMT2A 2191/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 L3MBTL1 441/4885MEN1 4619/4885KMT2A 2304/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 L3MBTL1 461/4885MEN1 4627/4885KMT2A 2069/4885

“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.