SCHEMBL579710

SCHEMBL579710

CC(=O)Nc1ccc(Oc2ccc(CCNCc3sccc3C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ADRB1 P08588 2/20 0.46
ADRB2 P07550 1/20 0.46
ADRB3 P13945 1/20 0.46
SCN8A Q9UQD0 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
HTT P42858 1/20 0.43
POLB P06746 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MMP2 P08253 3/20 0.40
MMP9 P14780 3/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MMP1 P03956 1/20 0.40

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
SCHEMBL579787 0.81 L3MBTL1 (0.58) MEN1KMT2AADRB1ADRB2ADRB3
SCHEMBL579590 0.80 SCN8A (0.51) MEN1KMT2AADRB1ADRB2ADRB3
SCHEMBL579606 0.79 OPRM1 (0.65) MEN1KMT2ASCN8AOPRM1OPRD1
SCHEMBL579645 0.77 MEN1 (0.56) MEN1KMT2AADRB1ADRB2ADRB3
SCHEMBL579992 0.77 ADRB1 (0.54) MEN1KMT2AADRB1ADRB2ADRB3
SCHEMBL580125 0.76 LTA4H (0.51) MEN1KMT2AADRB1ADRB2ADRB3
SCHEMBL3693068 0.75 OPRM1 (0.68) MEN1KMT2AADRB1ADRB3OPRM1
SCHEMBL580367 0.75 ADRB1 (0.61) MEN1KMT2AADRB1ADRB2ADRB3
SCHEMBL579611 0.74 ALDH1A1 (0.56) KMT2AADRB1ADRB2ADRB3HTT
SCHEMBL579876 0.74 ADRB1 (0.54) MEN1KMT2AADRB1ADRB2ADRB3

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 3 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

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 MEN1 4770/4885KMT2A 3472/4885ADRB1 33/4885

“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.