SCHEMBL580036

SCHEMBL580036

CC(=O)Nc1ccc(Oc2ccc(CCNCc3cccc(F)c3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
EPHX2 P34913 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
CNR1 P21554 1/20 0.48
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
HTR2A P28223 1/20 0.47
FFAR1 O14842 1/20 0.47
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
SCN8A Q9UQD0 1/20 0.47
FPR2 P25090 1/20 0.46
ATM Q13315 1/20 0.46
MPO P05164 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL580125 0.90 LTA4H (0.51) LTA4HEPHX2MEN1KMT2AOPRM1
SCHEMBL579570 0.87 CYP1A2 (0.53) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL579606 0.86 OPRM1 (0.65) LTA4HEPHX2MEN1KMT2AOPRM1
SCHEMBL579645 0.82 MEN1 (0.56) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL580095 0.80 NAMPT (0.60) KMT2AOPRM1OPRD1OPRK1ADRB1
SCHEMBL579763 0.78 OPRM1 (0.54) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL579590 0.77 SCN8A (0.51) LTA4HEPHX2MEN1KMT2AOPRM1
SCHEMBL3693752 0.77 OPRM1 (0.74) LTA4HEPHX2MEN1KMT2AOPRM1
SCHEMBL579992 0.77 ADRB1 (0.54) MEN1KMT2AMTNR1AMTNR1BADRB2
SCHEMBL579611 0.76 ALDH1A1 (0.56) KMT2AADRB2ADRB1ADRB3KDM4E

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 4 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-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-02-15 EP 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 (1 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-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 LTA4H 2224/4885EPHX2 2120/4885MEN1 4770/4885

“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.