SCHEMBL4913611

SCHEMBL4913611

CC(C)(C)OC(=O)N1CCc2ccc(Oc3ccc(C(=O)O)cn3)cc2CC1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.52
OPRD1 P41143 12/20 0.52
OPRK1 P41145 11/20 0.52
HRH3 Q9Y5N1 6/20 0.52
ESR2 Q92731 1/20 0.47

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
SCHEMBL4913618 0.90 HRH3 (0.52) OPRM1OPRD1OPRK1HRH3ESR2
SCHEMBL3077276 0.89 HRH3 (0.66) OPRM1OPRD1OPRK1HRH3ESR2
SCHEMBL4925258 0.87 ESR2 (0.47) OPRM1OPRD1OPRK1HRH3ESR2
SCHEMBL5430656 0.87 ESR2 (0.47) OPRM1OPRD1OPRK1HRH3ESR2
SCHEMBL3082115 0.86 HRH3 (0.52) OPRM1OPRD1OPRK1HRH3ESR2
SCHEMBL3693963 0.85 OPRM1 (0.62) OPRM1OPRD1OPRK1HRH3ESR2
SCHEMBL3691958 0.85 OPRM1 (0.60) OPRM1OPRD1OPRK1HRH3
SCHEMBL5169420 0.84 GPR119 (0.50) OPRM1OPRD1OPRK1ESR2
SCHEMBL4915892 0.84 HRH3 (0.64) OPRM1OPRD1OPRK1HRH3ESR2
SCHEMBL4926454 0.82 ESR2 (0.50) OPRM1OPRD1OPRK1HRH3ESR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009479-A1 Tetrahydrobenzazepines as Histamine H3 Receptor Ligands GLAXO GROUP LIMITED (GB) 2008-01-10 US disclosed
US-20070232590-A1 3-Cylcoalkylbenzazepines as Histamine H3 Antagonists GLAXO GROUP LIMITED (GB) 2007-10-04 US disclosed
US-20070232590-A1 3-Cylcoalkylbenzazepines as Histamine H3 Antagonists GLAXO GROUP LIMITED (GB) 2007-10-04 US disclosed
US-20070232590-A1 3-Cylcoalkylbenzazepines as Histamine H3 Antagonists GLAXO GROUP LIMITED (GB) 2007-10-04 US disclosed
EP-1735299-A1 TERTRAHYDROBENZAZEPINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2006-12-27 EP disclosed
WO-2005097778-A1 TETRAHYDROBENZAZEPINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2005-10-20 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 (2 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-20080009479-A1 Tetrahydrobenzazepines as Histamine H3 Receptor Ligands HRH3, HRH4, HRH1 OPRM1 155/4885OPRD1 163/4885OPRK1 103/4885
US-20070232590-A1 3-Cylcoalkylbenzazepines as Histamine H3 Antagonists HRH3, HRH4, HRH2 OPRM1 548/4885OPRD1 247/4885OPRK1 79/4885

“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.