SCHEMBL3697465

SCHEMBL3697465

N#Cc1ccc(Oc2c(F)cc(C=O)c(F)c2F)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 3/20 0.43
FEN1 P39748 3/20 0.43
PDE4B Q07343 1/20 0.37
OPRM1 P35372 1/20 0.37
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
ERN1 O75460 1/20 0.35
GRM5 P41594 2/20 0.33
CYP2D6 P10635 1/20 0.32
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
FPR2 P25090 1/20 0.32
SCN9A Q15858 1/20 0.32
HSD11B1 P28845 1/20 0.31
P2RX3 P56373 3/20 0.31
POLB P06746 1/20 0.31
MAP4K4 O95819 1/20 0.31
SLC22A12 Q96S37 1/20 0.31

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
SCHEMBL3692555 0.84 ALOX5AP (0.44) ALOX5APFEN1PDE4BOPRM1ALDH1A1
SCHEMBL3692397 0.81 ALOX5AP (0.41) ALOX5APFEN1PDE4BOPRM1ALDH1A1
SCHEMBL27300451 0.79 ALOX5AP (0.46) ALOX5APFEN1PDE4BOPRM1ALDH1A1
SCHEMBL3696540 0.77 ALOX5AP (0.41) ALOX5APFEN1ALDH1A1L3MBTL1ERN1
SCHEMBL27300204 0.75 ALOX5AP (0.46) ALOX5APFEN1PDE4BOPRM1ALDH1A1
SCHEMBL3696686 0.74 ALOX5AP (0.47) ALOX5APFEN1PDE4BOPRM1ALDH1A1
SCHEMBL3887260 0.74 KDM4E (0.43) ALOX5APFEN1PDE4BOPRM1ALDH1A1
SCHEMBL3692174 0.72 OPRM1 (0.41) ALOX5APFEN1PDE4BOPRM1CYP2D6
SCHEMBL2529786 0.72 PDE4B (0.46) ALOX5APFEN1PDE4BOPRM1ALDH1A1
SCHEMBL3886973 0.70 ALDH1A1 (0.51) PDE4BOPRM1ALDH1A1ERN1FPR2

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
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
EP-1562595-B1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-05-21 EP 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 ALOX5AP 2096/4885FEN1 4812/4885PDE4B 3667/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 ALOX5AP 2154/4885FEN1 4813/4885PDE4B 3671/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 ALOX5AP 2183/4885FEN1 4813/4885PDE4B 3800/4885

“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.