SCHEMBL3701693

SCHEMBL3701693

CCOC(=O)C1CCCN(Cc2ccc(OC)cc2)C1

nearest known ligand 0.83

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.83
KDM4E B2RXH2 7/20 0.83
L3MBTL1 Q9Y468 2/20 0.73
ATM Q13315 1/20 0.73
TSHR P16473 1/20 0.71
MAPK1 P28482 1/20 0.71
GAA P10253 2/20 0.69
TDP1 Q9NUW8 1/20 0.66
SMN1; SMN2 Q16637 2/20 0.63
POLB P06746 1/20 0.62
LMNA P02545 1/20 0.61
GLA P06280 1/20 0.61

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
Hydrochloric Acid SCHEMBL8545412 0.99 ALDH1A1 (0.81) ALDH1A1KDM4EL3MBTL1ATMTSHR
SCHEMBL27549354 0.89 KDM4E (0.67) ALDH1A1KDM4EL3MBTL1ATMTSHR
SCHEMBL8250801 0.89 ALDH1A1 (0.80) ALDH1A1KDM4EL3MBTL1ATMTSHR
SCHEMBL27569115 0.89 KDM4E (0.74) ALDH1A1KDM4EL3MBTL1ATMTSHR
SCHEMBL8983739 0.88 ALDH1A1 (0.65) ALDH1A1KDM4EL3MBTL1ATMTSHR
Hydrochloric Acid SCHEMBL10549774 0.88 KDM4E (0.73) ALDH1A1KDM4EL3MBTL1ATMTSHR
SCHEMBL4850083 0.88 ALDH1A1 (0.78) ALDH1A1KDM4EL3MBTL1ATMTSHR
SCHEMBL5178089 0.87 ALDH1A1 (0.77) ALDH1A1KDM4EL3MBTL1ATMTSHR
SCHEMBL1946258 0.86 L3MBTL1 (0.86) ALDH1A1KDM4EL3MBTL1ATMTSHR
SCHEMBL3706417 0.85 KDM4E (0.69) ALDH1A1KDM4EL3MBTL1ATMTSHR

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 22 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-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
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 ALDH1A1 2083/4885KDM4E 595/4885L3MBTL1 442/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 ALDH1A1 2104/4885KDM4E 634/4885L3MBTL1 441/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 ALDH1A1 2133/4885KDM4E 608/4885L3MBTL1 461/4885

“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.