SCHEMBL5659860

SCHEMBL5659860

Cc1noc(-c2ccc(Cc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)CC4)cn2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.43
TBK1 Q9UHD2 3/20 0.41
IKBKE Q14164 1/20 0.41
ESR2 Q92731 1/20 0.41
NR1H2 P55055 1/20 0.40
WNT3A P56704 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
JAK2 O60674 3/20 0.37
JAK3 P52333 2/20 0.37
PTK2 Q05397 2/20 0.37
USP30 Q70CQ3 1/20 0.37
JAK1 P23458 1/20 0.37
PTPN1 P18031 1/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 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
SCHEMBL5664943 0.90 GPR119 (0.42) GPR119TBK1IKBKEESR2NR1H2
SCHEMBL5661929 0.87 GPR119 (0.54) GPR119TBK1IKBKEESR2NR1H2
SCHEMBL5662475 0.84 GPR119 (0.48) GPR119TBK1IKBKEESR2NR1H2
SCHEMBL5427401 0.80 GPR119 (0.43) GPR119TBK1IKBKEESR2NR1H2
SCHEMBL5660144 0.79 ESR2 (0.48) GPR119ESR2NR1H2NPC1RAB9A
SCHEMBL5171654 0.78 ESR2 (0.47) GPR119ESR2NR1H2NPC1RAB9A
SCHEMBL5665173 0.77 HRH3 (0.42)
SCHEMBL5663741 0.77 GPR119 (0.47) GPR119ESR2NR1H2NPC1RAB9A
SCHEMBL5181709 0.76 NR1H2 (0.45) GPR119ESR2NR1H2WNT3ANPC1
SCHEMBL4924504 0.75 GPR119 (0.49) GPR119TBK1IKBKEESR2NR1H2

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 1 patent. 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

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 130/4885TBK1 2326/4885IKBKE 849/4885

“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.