SCHEMBL5182555

SCHEMBL5182555

CC(C)(C)OC(=O)N1CCc2ccc(COc3ccc(C(=O)O)nn3)cc2CC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 9/20 0.50
▸ ESR2 Q92731 1/20 0.47
▸ NR1H2 P55055 1/20 0.44
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ RXRB P28702 1/20 0.39
▸ CYP4F2 P78329 1/20 0.38
▸ CYP4A11 Q02928 1/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ PTK2 Q05397 2/20 0.38
▸ YAP1 P46937 1/20 0.37
▸ GHSR Q92847 2/20 0.37
▸ TLR9 Q9NR96 1/20 0.36

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
SCHEMBL5170881 0.90 GPR119 (0.48) GPR119ESR2NR1H2NPC1RAB9A
SCHEMBL5663494 0.89 GPR119 (0.47) GPR119ESR2NR1H2NPC1RAB9A
SCHEMBL5172059 0.86 ESR2 (0.47) GPR119ESR2NR1H2NPC1RAB9A
SCHEMBL5169420 0.84 GPR119 (0.50) GPR119ESR2NR1H2NPC1RAB9A
SCHEMBL5171654 0.81 ESR2 (0.47) GPR119ESR2NR1H2NPC1RAB9A
SCHEMBL5662249 0.79 ESR2 (0.46) GPR119ESR2NR1H2NPC1RAB9A
SCHEMBL5664186 0.79 GPR119 (0.49) GPR119ESR2NR1H2NPC1RAB9A
SCHEMBL5662459 0.78 GPR119 (0.48) GPR119ESR2NR1H2NPC1RAB9A
SCHEMBL5663564 0.78 HRH3 (0.48) GPR119ESR2NR1H2NPC1RAB9A
SCHEMBL5170986 0.77 ESR2 (0.46) GPR119ESR2NR1H2NPC1RAB9A

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-20070208005-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-09-06 — — US disclosed
EP-1778643-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-05-02 — — EP disclosed
WO-2006018260-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H 3 RECEPTOR GLAXO GROUP LIMITED (GB) 2006-02-23 — — 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 (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-20070208005-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 GPR119 130/4885ESR2 938/4885NR1H2 354/4885

“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.

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