SCHEMBL579900

SCHEMBL579900

O=C(Nc1ccc(Oc2ccc(CCNCc3ccccc3)cc2)cc1)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.63
OPRM1 P35372 7/20 0.57
OPRD1 P41143 7/20 0.57
OPRK1 P41145 5/20 0.57
NAMPT P43490 1/20 0.57
ADRB2 P07550 2/20 0.56
ADRB1 P08588 2/20 0.56
ADRB3 P13945 2/20 0.56
KMT2A Q03164 4/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 2/20 0.56
CYP3A4 P08684 1/20 0.54
TP53 P04637 1/20 0.54
RECQL P46063 1/20 0.54
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
GRIN1 Q05586 1/20 0.53

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 0.89 OPRM1 (0.67) RAB9AOPRM1OPRD1OPRK1ADRB2
SCHEMBL579511 0.88 OPRM1 (0.61) RAB9AOPRM1OPRD1OPRK1NAMPT
2-Picolinic Acid SCHEMBL5740572 0.88 RAB9A (0.52) RAB9AOPRM1OPRD1OPRK1NAMPT
2-Picolinic Acid SCHEMBL5740570 0.87 OPRM1 (0.59) RAB9AOPRM1OPRD1OPRK1NAMPT
SCHEMBL5751520 0.84 OPRM1 (0.58) RAB9AOPRM1OPRD1OPRK1NAMPT
SCHEMBL11617534 0.83 RAB9A (0.75) RAB9ANAMPTKMT2ANPC1SMN1; SMN2
SCHEMBL5751517 0.83 OPRM1 (0.72) OPRM1OPRD1OPRK1NAMPTADRB2
SCHEMBL579444 0.82 OPRM1 (0.60) RAB9AOPRM1OPRD1OPRK1KMT2A
SCHEMBL580095 0.82 NAMPT (0.60) OPRM1OPRD1OPRK1NAMPTADRB1
SCHEMBL12310174 0.82 KMT2A (0.76) RAB9AKMT2ANPC1SMN1; SMN2MEN1

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 14 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
EP-1735268-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-27 EP claimed
WO-2005092836-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-06 WO claimed
US-8338611-B2 Opioid receptor antagonists ELI LILLY AND COMPANY (US) 2012-12-25 US disclosed
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
US-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS CHAPPELL MARK DONALD 2008-08-28 US disclosed
US-7378448-B2 Diphenylether amide derivatives as opioid receptor antagonists ELI LILLY AND COMPANY (US) 2008-05-27 US disclosed
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2007-03-22 US disclosed
EP-1735268-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2006-12-27 EP disclosed
WO-2005092836-A1 OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-10-06 WO 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 (3 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-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 RAB9A 1508/4885OPRM1 2/4885OPRD1 1/4885
US-20070066658-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 RAB9A 1508/4885OPRM1 2/4885OPRD1 1/4885
US-20110105571-A1 Opioid Receptor Antagonists OPRD1, OPRM1, OPRK1 RAB9A 1508/4885OPRM1 2/4885OPRD1 1/4885

“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.