SCHEMBL5170986

SCHEMBL5170986

CC(C)(C)OC(=O)N1CCc2ccc(Cn3cnc(C(=O)O)c3)cc2CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.46
▸ NR1H2 P55055 1/20 0.45
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ RBP4 P02753 1/20 0.39
▸ JAK2 O60674 2/20 0.39
▸ JAK3 P52333 2/20 0.39
▸ PTK2 Q05397 2/20 0.39
▸ GPR119 Q8TDV5 4/20 0.38
▸ KDM1A O60341 2/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ IDO2 Q6ZQW0 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ SCD O00767 1/20 0.36
▸ SCD5 Q86SK9 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ KIT P10721 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
SCHEMBL5661745 0.89 ESR2 (0.43) ESR2NR1H2NPC1RAB9ARBP4
SCHEMBL5173084 0.89 ESR2 (0.43) ESR2NR1H2NPC1RAB9AJAK2
SCHEMBL5171654 0.80 ESR2 (0.47) ESR2NR1H2NPC1RAB9AJAK2
SCHEMBL5168466 0.78 NR1H2 (0.47) ESR2NR1H2NPC1RAB9AJAK2
SCHEMBL5168854 0.78 ESR2 (0.46) ESR2NR1H2NPC1RAB9AJAK2
SCHEMBL5182555 0.77 GPR119 (0.50) ESR2NR1H2NPC1RAB9AJAK2
SCHEMBL5172059 0.77 ESR2 (0.47) ESR2NR1H2NPC1RAB9AJAK2
SCHEMBL1787313 0.77 ESR2 (0.59) ESR2NR1H2NPC1RAB9AJAK2
SCHEMBL1788257 0.76 ESR2 (0.57) ESR2NR1H2NPC1RAB9AJAK2
SCHEMBL5170947 0.76 ESR2 (0.52) ESR2NR1H2NPC1RAB9AGPR119

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 ESR2 938/4885NR1H2 354/4885NPC1 1849/4885

“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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