SCHEMBL579551

SCHEMBL579551

CSCCC(=O)Nc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.57
OPRM1 P35372 6/20 0.57
OPRD1 P41143 5/20 0.57
OPRK1 P41145 4/20 0.57
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ATM Q13315 1/20 0.54
HDAC1 Q13547 1/20 0.53
LTA4H P09960 3/20 0.53
EPHX2 P34913 1/20 0.50
ALDH1A1 P00352 1/20 0.49
KDM1A O60341 1/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
RNF4 P78317 1/20 0.47
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
GRIN1 Q05586 1/20 0.47

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
SCHEMBL5738565 0.83 OPRM1 (0.47) RECQLOPRM1OPRD1OPRK1MEN1
SCHEMBL580192 0.83 MEN1 (0.60) RECQLOPRM1OPRD1OPRK1MEN1
SCHEMBL579606 0.83 OPRM1 (0.65) RECQLOPRM1OPRD1OPRK1MEN1
SCHEMBL5738562 0.82 OPRM1 (0.54) OPRM1OPRD1OPRK1HDAC1LTA4H
SCHEMBL579469 0.79 OPRM1 (0.67) RECQLOPRM1OPRD1OPRK1MEN1
SCHEMBL9154589 0.77 LTA4H (0.79) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL579645 0.76 MEN1 (0.56) RECQLOPRM1OPRD1OPRK1MEN1
SCHEMBL22069565 0.76 RECQL (0.75) RECQLOPRM1OPRD1OPRK1MEN1
SCHEMBL5739389 0.76 MEN1 (0.51) RECQLOPRM1OPRD1OPRK1MEN1
SCHEMBL580225 0.76 SMN1; SMN2 (0.71) RECQLOPRM1OPRD1OPRK1MEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1735268-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-02-15 EP claimed
US-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 US claimed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 US claimed
EP-1735268-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-27 EP claimed
WO-2005092836-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-06 WO claimed
US-8338611-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-12-25 US disclosed
US-20110105571-A1 Opioid Receptor Antagonists ELI LILLY AND COMPANY (US) 2011-05-05 US disclosed
US-7902372-B2 Therapy for obesity; using a secondary amino compound ELI LILLY AND COMPANY (US) 2011-03-08 US disclosed
US-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS CHAPPELL MARK DONALD 2008-08-28 US disclosed
US-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 US disclosed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 US disclosed
EP-1735268-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-27 EP disclosed
WO-2005092836-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-06 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-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 RECQL 1673/4885OPRM1 2/4885OPRD1 1/4885
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 RECQL 1673/4885OPRM1 2/4885OPRD1 1/4885
US-20110105571-A1 Opioid Receptor Antagonists OPRD1, OPRM1, OPRK1 RECQL 1673/4885OPRM1 2/4885OPRD1 1/4885

“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.