SCHEMBL579758

SCHEMBL579758

O=C(Nc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1)c1cnc2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.58
OPRD1 P41143 7/20 0.58
OPRK1 P41145 5/20 0.58
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
GRIN1 Q05586 1/20 0.51
KCNH2 Q12809 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
ROCK1 Q13464 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL579883 0.84 HTT (0.53) OPRM1OPRD1OPRK1SMN1; SMN2MAPT
SCHEMBL579444 0.84 OPRM1 (0.60) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL579469 0.81 OPRM1 (0.67) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL5738565 0.80 OPRM1 (0.47) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL5738562 0.79 OPRM1 (0.54) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL579511 0.78 OPRM1 (0.61) OPRM1OPRD1OPRK1RAB9ASMN1; SMN2
SCHEMBL580275 0.78 NPC1 (0.56) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL579900 0.78 RAB9A (0.63) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL579606 0.77 OPRM1 (0.65) OPRM1OPRD1OPRK1KDM4EGRIN2D
SCHEMBL580225 0.77 SMN1; SMN2 (0.71) OPRM1OPRD1OPRK1NPC1RAB9A

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 OPRM1 2/4885OPRD1 1/4885OPRK1 3/4885

“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.