SCHEMBL580191

SCHEMBL580191

Cc1noc(C)c1C(=O)Nc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
TP53 P04637 3/20 0.58
TSHR P16473 2/20 0.53
OPRM1 P35372 6/20 0.52
OPRD1 P41143 5/20 0.52
OPRK1 P41145 3/20 0.52
FLT1 P17948 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
GFER P55789 1/20 0.48
ITGB1 P05556 1/20 0.48
ITGA4 P13612 1/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
ALOX15 P16050 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
SCHEMBL580366 0.85 OPRM1 (0.50) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL580275 0.83 NPC1 (0.56) TP53OPRM1OPRD1OPRK1MEN1
SCHEMBL580225 0.82 SMN1; SMN2 (0.71) GAATP53TSHROPRM1OPRD1
SCHEMBL579469 0.80 OPRM1 (0.67) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL579507 0.80 OPRM1 (0.56) TP53OPRM1OPRD1OPRK1FLT1
SCHEMBL579606 0.79 OPRM1 (0.65) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL579769 0.78 LMNA (0.58) GAAOPRM1OPRD1OPRK1MEN1
SCHEMBL580074 0.78 OPRM1 (0.51) OPRM1OPRD1OPRK1MEN1KMT2A
SCHEMBL579511 0.77 OPRM1 (0.61) OPRM1OPRD1OPRK1FLT1MEN1
SCHEMBL579444 0.77 OPRM1 (0.60) OPRM1OPRD1OPRK1MEN1KMT2A

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
EP-1735268-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2012-02-15 EP 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

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 GAA 2607/4885TP53 4829/4885TSHR 195/4885

“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.