SCHEMBL5430656

SCHEMBL5430656

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.47
NR1H2 P55055 1/20 0.47
HRH3 Q9Y5N1 10/20 0.46
OPRM1 P35372 5/20 0.44
OPRD1 P41143 5/20 0.44
OPRK1 P41145 4/20 0.44
LIPE Q05469 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
HRH1 P35367 1/20 0.41
ACACB O00763 1/20 0.41

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
SCHEMBL4925258 0.88 ESR2 (0.47) ESR2NR1H2HRH3OPRM1OPRD1
SCHEMBL4913611 0.87 OPRM1 (0.52) ESR2HRH3OPRM1OPRD1OPRK1
SCHEMBL4913618 0.85 HRH3 (0.52) ESR2NR1H2HRH3OPRM1OPRD1
SCHEMBL3077276 0.84 HRH3 (0.66) ESR2NR1H2HRH3OPRM1OPRD1
SCHEMBL4926454 0.83 ESR2 (0.50) ESR2NR1H2HRH3OPRM1OPRD1
SCHEMBL4915892 0.82 HRH3 (0.64) ESR2NR1H2HRH3OPRM1OPRD1
SCHEMBL3082115 0.82 HRH3 (0.52) ESR2NR1H2HRH3OPRM1OPRD1
SCHEMBL3077662 0.81 HRH3 (0.52) ESR2NR1H2HRH3NPC1RAB9A
SCHEMBL3691958 0.80 OPRM1 (0.60) NR1H2HRH3OPRM1OPRD1OPRK1
SCHEMBL3089265 0.80 HRH3 (0.66) ESR2NR1H2HRH3OPRM1OPRD1

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
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

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-20070232590-A1 3-Cylcoalkylbenzazepines as Histamine H3 Antagonists HRH3, HRH4, HRH2 ESR2 2743/4885NR1H2 1151/4885HRH3 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.