SCHEMBL5662249

SCHEMBL5662249

COC(=O)c1cnc(OCc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)cn1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.46
▸ GPR119 Q8TDV5 9/20 0.44
▸ JAK2 O60674 2/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ PTK2 Q05397 2/20 0.44
▸ NR1H2 P55055 1/20 0.43
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP4F2 P78329 1/20 0.39
▸ CYP4A11 Q02928 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL5172059 0.90 ESR2 (0.47) ESR2GPR119JAK2JAK3PTK2
SCHEMBL5663564 0.90 HRH3 (0.48) ESR2GPR119JAK2JAK3PTK2
SCHEMBL5664186 0.87 GPR119 (0.49) ESR2GPR119JAK2JAK3PTK2
SCHEMBL5662595 0.86 ESR2 (0.44) ESR2GPR119JAK2JAK3PTK2
SCHEMBL3077662 0.85 HRH3 (0.52) ESR2GPR119JAK2JAK3PTK2
SCHEMBL5169420 0.81 GPR119 (0.50) ESR2GPR119NR1H2NPC1RAB9A
SCHEMBL5662459 0.80 GPR119 (0.48) ESR2GPR119JAK2JAK3PTK2
SCHEMBL5182555 0.79 GPR119 (0.50) ESR2GPR119JAK2JAK3PTK2
SCHEMBL5170881 0.79 GPR119 (0.48) ESR2GPR119JAK2JAK3PTK2
SCHEMBL5663494 0.78 GPR119 (0.47) ESR2GPR119JAK2JAK3PTK2

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 ESR2 938/4885GPR119 130/4885JAK2 1152/4885

“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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