SCHEMBL580225

SCHEMBL580225

O=C(Nc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1)c1ccco1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.71
LMNA P02545 5/20 0.71
TP53 P04637 3/20 0.71
RAB9A P51151 4/20 0.61
HTT P42858 3/20 0.61
ALDH1A1 P00352 3/20 0.61
NPC1 O15118 3/20 0.61
HPGD P15428 3/20 0.61
GAA P10253 1/20 0.61
ALOX15 P16050 1/20 0.61
TSHR P16473 1/20 0.61
MAPK1 P28482 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
KMT2A Q03164 8/20 0.61
MEN1 O00255 6/20 0.61
MAPT P10636 4/20 0.61
NPSR1 Q6W5P4 2/20 0.61
OPRM1 P35372 1/20 0.59
OPRD1 P41143 1/20 0.59
OPRK1 P41145 1/20 0.59

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
SCHEMBL579469 0.86 OPRM1 (0.67) SMN1; SMN2RAB9ANPC1HPGDKMT2A
SCHEMBL580054 0.85 OPRM1 (0.55) SMN1; SMN2LMNATP53RAB9AHTT
SCHEMBL5739389 0.84 MEN1 (0.51) SMN1; SMN2LMNATP53RAB9AHTT
SCHEMBL579507 0.84 OPRM1 (0.56) SMN1; SMN2LMNATP53ALDH1A1KMT2A
SCHEMBL2575722 0.83 SMN1; SMN2 (0.91) SMN1; SMN2LMNATP53RAB9AHTT
SCHEMBL580191 0.82 GAA (0.58) SMN1; SMN2LMNATP53RAB9AHTT
SCHEMBL579606 0.82 OPRM1 (0.65) ALDH1A1L3MBTL1KMT2AMEN1NPSR1
SCHEMBL5739394 0.81 KMT2A (0.48) SMN1; SMN2LMNATP53RAB9AHTT
SCHEMBL579511 0.81 OPRM1 (0.61) SMN1; SMN2LMNARAB9AHTTALDH1A1
SCHEMBL579444 0.81 OPRM1 (0.60) SMN1; SMN2RAB9ANPC1KMT2AMEN1

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-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

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-20110105571-A1 Opioid Receptor Antagonists OPRD1, OPRM1, OPRK1 SMN1; SMN2 2464/4885LMNA 3778/4885TP53 4829/4885

“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.