SCHEMBL579769

SCHEMBL579769

Cc1nnsc1C(=O)Nc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.58
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ATM Q13315 1/20 0.52
OPRM1 P35372 8/20 0.52
OPRD1 P41143 7/20 0.52
OPRK1 P41145 5/20 0.52
GAA P10253 1/20 0.50
RECQL P46063 1/20 0.47
LTA4H P09960 2/20 0.46
EPHX2 P34913 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
GRIN1 Q05586 1/20 0.46
KCNH2 Q12809 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
ROCK1 Q13464 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
SCHEMBL580267 0.85 OPRM1 (0.50) MEN1KMT2AATMOPRM1OPRD1
SCHEMBL579469 0.80 OPRM1 (0.67) MEN1KMT2AATMOPRM1OPRD1
SCHEMBL579606 0.79 OPRM1 (0.65) MEN1KMT2AATMOPRM1OPRD1
SCHEMBL580191 0.78 GAA (0.58) LMNAMEN1KMT2AATMOPRM1
SCHEMBL579444 0.77 OPRM1 (0.60) MEN1KMT2AATMOPRM1OPRD1
SCHEMBL579511 0.77 OPRM1 (0.61) LMNAMEN1KMT2AATMOPRM1
SCHEMBL580275 0.77 NPC1 (0.56) LMNAMEN1KMT2AATMOPRM1
SCHEMBL7706003 0.77 LMNA (0.59) LMNAMEN1KMT2AATMGAA
SCHEMBL579839 0.76 NPC1 (0.61) LMNAMEN1KMT2AATMOPRM1
SCHEMBL580225 0.76 SMN1; SMN2 (0.71) LMNAMEN1KMT2AATMOPRM1

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 LMNA 3778/4885MEN1 4770/4885KMT2A 3472/4885

“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.