SCHEMBL3699757

SCHEMBL3699757

COc1cc(Oc2ccc(C(N)=O)cc2Cl)ccc1C=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 7/20 0.59
ALDH1A1 P00352 1/20 0.51
SLC6A4 P31645 2/20 0.46
HTR2A P28223 1/20 0.46
KCNH2 Q12809 1/20 0.46
ERN1 O75460 2/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
ESRRA P11474 1/20 0.43
TNFRSF1A P19438 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAPK1 P28482 1/20 0.42
TTR P02766 1/20 0.41
PARP10 Q53GL7 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41

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
SCHEMBL27549459 0.81 ERN1 (0.58) ALDH1A1ERN1MAPTMAPK1PARP10
SCHEMBL3701320 0.79 PARP10 (0.65) CHEK2ALDH1A1SLC6A4HTR2AKCNH2
SCHEMBL1719761 0.78 MAPK1 (0.58) ALDH1A1SLC6A4KCNH2LMNAMAPT
SCHEMBL16319237 0.77 SLC6A4 (0.66) CHEK2ALDH1A1SLC6A4HTR2AKCNH2
SCHEMBL3699034 0.77 ALDH1A1 (0.52) CHEK2ALDH1A1SLC6A4HTR2AKCNH2
SCHEMBL364754 0.76 SLC6A4 (0.64) CHEK2ALDH1A1SLC6A4HTR2AKCNH2
SCHEMBL1351199 0.75 ERN1 (0.58) ALDH1A1ERN1LMNAMAPK1PARP10
SCHEMBL13285478 0.74 SLC6A4 (0.48) CHEK2SLC6A4HTR2AKCNH2LMNA
SCHEMBL10252664 0.74 SIRT2 (0.53) CHEK2SLC6A4HTR2AKCNH2LMNA
SCHEMBL3693942 0.74 PARP10 (0.65) CHEK2ALDH1A1SLC6A4HTR2AKCNH2

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 19 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-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-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
CN-1681498-A Diaryl ethers as opioid receptor antagonist LILLY CO ELI (US) 2005-10-12 CN 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 CHEK2 4884/4885ALDH1A1 2083/4885SLC6A4 1080/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 CHEK2 4884/4885ALDH1A1 2104/4885SLC6A4 1090/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 CHEK2 4883/4885ALDH1A1 2133/4885SLC6A4 1153/4885

“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.