SCHEMBL4913618

SCHEMBL4913618

COC(=O)c1ccc(Oc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)nc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.52
OPRM1 P35372 9/20 0.48
OPRD1 P41143 9/20 0.48
OPRK1 P41145 8/20 0.48
ESR2 Q92731 1/20 0.45
NR1H2 P55055 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL4913611 0.90 OPRM1 (0.52) HRH3OPRM1OPRD1OPRK1ESR2
SCHEMBL3077276 0.89 HRH3 (0.66) HRH3OPRM1OPRD1OPRK1ESR2
SCHEMBL3077662 0.86 HRH3 (0.52) HRH3ESR2NR1H2
SCHEMBL4925258 0.85 ESR2 (0.47) HRH3OPRM1OPRD1OPRK1ESR2
SCHEMBL5430656 0.85 ESR2 (0.47) HRH3OPRM1OPRD1OPRK1ESR2
SCHEMBL5664186 0.85 GPR119 (0.49) ESR2NR1H2
SCHEMBL3691958 0.83 OPRM1 (0.60) HRH3OPRM1OPRD1OPRK1NR1H2
SCHEMBL3693963 0.83 OPRM1 (0.62) HRH3OPRM1OPRD1OPRK1ESR2
SCHEMBL5451256 0.82 HRH3 (0.57) HRH3OPRM1OPRD1OPRK1ESR2
SCHEMBL5462270 0.82 GPR119 (0.49) ESR2NR1H2

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 8 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-1756094-A1 3-CYCLOALKYLBENZAZEPINES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2007-02-28 EP disclosed
EP-1735299-A1 TERTRAHYDROBENZAZEPINES AS HISTAMINE H3 RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2006-12-27 EP disclosed
WO-2005123723-A1 3-CYCLOALKYLBENZAZEPINES AS HISTAMINE H3 ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-12-29 WO 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 HRH3 1/4885OPRM1 155/4885OPRD1 163/4885
US-20070232590-A1 3-Cylcoalkylbenzazepines as Histamine H3 Antagonists HRH3, HRH4, HRH2 HRH3 1/4885OPRM1 548/4885OPRD1 247/4885

“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.