SCHEMBL5168854

SCHEMBL5168854

CC(C)(C)OC(=O)N1CCc2ccc(Cn3cncc3C(=O)O)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
▸ OPRD1 P41143 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ JAK2 O60674 4/20 0.39
▸ JAK3 P52333 4/20 0.39
▸ PTK2 Q05397 4/20 0.39
▸ GPR119 Q8TDV5 5/20 0.38
▸ VEGFA P15692 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ KDM1A O60341 3/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ IDO2 Q6ZQW0 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ STS P08842 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
SCHEMBL5663106 0.89 ESR2 (0.43) ESR2NR1H2NPC1RAB9AOPRD1
SCHEMBL5662423 0.89 ESR2 (0.43) ESR2NR1H2NPC1RAB9AJAK2
SCHEMBL5170986 0.78 ESR2 (0.46) ESR2NR1H2NPC1RAB9AOPRD1
SCHEMBL1787313 0.77 ESR2 (0.59) ESR2NR1H2NPC1RAB9AJAK2
SCHEMBL1788257 0.76 ESR2 (0.57) ESR2NR1H2NPC1RAB9AJAK2
SCHEMBL5171654 0.76 ESR2 (0.47) ESR2NR1H2NPC1RAB9AJAK2
SCHEMBL5170947 0.76 ESR2 (0.52) ESR2NR1H2NPC1RAB9AGPR119
SCHEMBL5171207 0.74 ESR2 (0.46) ESR2NR1H2NPC1RAB9AJAK2
SCHEMBL5168466 0.74 NR1H2 (0.47) ESR2NR1H2NPC1RAB9AJAK2
SCHEMBL5662956 0.73 ESR2 (0.47) ESR2NR1H2NPC1RAB9AJAK2

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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