SCHEMBL3696341

SCHEMBL3696341

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

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 3/20 0.54
S1PR5 Q9H228 2/20 0.53
NPC1 O15118 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM2B Q8NHM5 3/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL27569115 0.84 KDM4E (0.74) KDM4EALDH1A1S1PR5L3MBTL1MEN1
Hydrochloric Acid SCHEMBL10549774 0.83 KDM4E (0.73) KDM4EALDH1A1S1PR5L3MBTL1MEN1
SCHEMBL13285816 0.83 KDM4E (0.72) KDM4EALDH1A1S1PR5L3MBTL1MEN1
SCHEMBL27549340 0.83 KDM4E (0.76) KDM4ES1PR5MEN1KMT2A
SCHEMBL2447400 0.82 GAA (0.72) KDM4EALDH1A1S1PR5L3MBTL1MEN1
SCHEMBL2006873 0.81 SCN4A (0.62) S1PR5
SCHEMBL21928850 0.81 KDM2B (0.74) KDM4EALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL3706417 0.81 KDM4E (0.69) KDM4EALDH1A1S1PR5L3MBTL1KDM2B
SCHEMBL27549354 0.81 KDM4E (0.67) KDM4EALDH1A1S1PR5L3MBTL1KDM2B
SCHEMBL28257743 0.80 KDM4E (0.68) KDM4EALDH1A1S1PR5L3MBTL1MEN1

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
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 KDM4E 595/4885ALDH1A1 2083/4885S1PR5 516/4885
US-20080255152-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS OPRM1, OPRD1, OPRL1 KDM4E 634/4885ALDH1A1 2104/4885S1PR5 525/4885
US-20060217372-A1 Diaryl ethers as opioid receptor antagonist OPRM1, OPRL1, OPRD1 KDM4E 608/4885ALDH1A1 2133/4885S1PR5 507/4885

“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.