SCHEMBL3701690

SCHEMBL3701690

NC(=O)c1ccc(Oc2ccc(CNCc3ccc(F)cc3)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.63
OPRD1 P41143 3/20 0.63
OPRK1 P41145 3/20 0.63
PARP10 Q53GL7 11/20 0.61
MAOB P27338 1/20 0.61
PARP15 Q460N3 2/20 0.58
ALDH1A1 P00352 1/20 0.58
KMT2A Q03164 1/20 0.58
PARP14 Q460N5 1/20 0.58
PARP16 Q8N5Y8 1/20 0.58
PARP11 Q9NR21 1/20 0.58
PARP4 Q9UKK3 1/20 0.58
CYP3A4 P08684 1/20 0.53
MAPK14 Q16539 1/20 0.53
PARP3 Q9Y6F1 1/20 0.51
LTA4H P09960 1/20 0.51
EPHX2 P34913 1/20 0.51
RXFP1 Q9HBX9 1/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL3700420 0.90 OPRM1 (0.79) OPRM1OPRD1OPRK1PARP10MAOB
SCHEMBL3690849 0.86 OPRM1 (0.82) OPRM1OPRD1OPRK1PARP10PARP15
SCHEMBL3704971 0.86 OPRM1 (0.71) OPRM1OPRD1OPRK1PARP10MAOB
SCHEMBL3016749 0.85 PARP10 (0.79) PARP10MAOBPARP15ALDH1A1KMT2A
SCHEMBL3697843 0.84 OPRM1 (0.59) OPRM1OPRD1OPRK1PARP10MAOB
SCHEMBL3691728 0.84 MAOB (0.64) OPRM1OPRD1OPRK1PARP10MAOB
SCHEMBL6187100 0.80 OPRK1 (0.54) OPRM1OPRD1OPRK1PARP10MAOB
SCHEMBL3697553 0.80 OPRM1 (0.61) OPRM1OPRD1OPRK1PARP10PARP15
SCHEMBL3693752 0.80 OPRM1 (0.74) OPRM1OPRD1OPRK1PARP10MAOB
SCHEMBL3314857 0.80 PARP10 (0.63) PARP10MAOBPARP15ALDH1A1KMT2A

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.