SCHEMBL5168466

SCHEMBL5168466

CC(C)(C)OC(=O)N1CCc2ccc(Cc3cnc(C(=O)O)cn3)cc2CC1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.47
▸ ESR2 Q92731 1/20 0.46
▸ GPR119 Q8TDV5 9/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ JAK2 O60674 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ PTK2 Q05397 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CKS1B P61024 1/20 0.37
▸ SKP1 P63208 1/20 0.37
▸ SKP2 Q13309 1/20 0.37
▸ ACHE P22303 1/20 0.36
▸ MAP3K5 Q99683 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
SCHEMBL5662803 0.94 NR1H2 (0.47) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL5661667 0.90 ESR2 (0.44) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL5662595 0.90 ESR2 (0.44) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL5171654 0.88 ESR2 (0.47) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL5663310 0.88 HRH3 (0.43) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL5660851 0.87 NR1H2 (0.51) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL5171207 0.86 ESR2 (0.46) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL5172059 0.85 ESR2 (0.47) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL5662956 0.84 ESR2 (0.47) NR1H2ESR2GPR119NPC1RAB9A
SCHEMBL5662883 0.83 ESR2 (0.43) NR1H2ESR2GPR119NPC1RAB9A

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 NR1H2 354/4885ESR2 938/4885GPR119 130/4885

“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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