SCHEMBL2851071

SCHEMBL2851071

COC(=O)CCc1ccc2cc(Br)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.44
KCNH2 Q12809 2/20 0.39
SMPD3 Q9NY59 1/20 0.39
ACHE P22303 1/20 0.38
MAP4K4 O95819 1/20 0.38
SLC2A1 P11166 1/20 0.38
ESRRB O95718 1/20 0.38
ESR1 P03372 1/20 0.38
ESRRA P11474 1/20 0.38
ESRRG P62508 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
TLR9 Q9NR96 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
RBP4 P02753 1/20 0.37
SUV39H2 Q9H5I1 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
SCHEMBL3910456 0.86 HRH1 (0.35) BACE1KCNH2LMNAMAPTSMN1; SMN2
SCHEMBL2851151 0.85 ADRA1A (0.51) BACE1KCNH2SMPD3ACHEMAP4K4
SCHEMBL2848519 0.85 HRH1 (0.43) BACE1KCNH2ACHEMAP4K4SLC2A1
SCHEMBL3715194 0.83 PDE4D (0.47)
SCHEMBL2848570 0.81 BACE1 (0.48) BACE1KCNH2SMPD3MAP4K4SMARCA2
SCHEMBL2851031 0.78 BACE1 (0.46) BACE1KCNH2SMPD3ACHEMAP4K4
SCHEMBL2850829 0.77 BACE1 (0.44) BACE1KCNH2SMPD3ACHEMAP4K4
SCHEMBL2850831 0.77 BACE1 (0.44) BACE1KCNH2SMPD3ACHEMAP4K4
SCHEMBL2854558 0.74 HRH1 (0.47) BACE1KCNH2ACHEMAP4K4SLC2A1
SCHEMBL3911291 0.73 HRH1 (0.49) KCNH2MAPTSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2027108-B1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE GLAXO GROUP LTD (GB) 2010-01-13 EP disclosed
US-20090181950-A1 Histamine Receptor Antagonists Comprising an Azepin Core GLAXO GROUP LIMITED (GB) 2009-07-16 US disclosed
EP-2027108-A1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE Glaxo Group Limited (GB) 2009-02-25 EP disclosed
WO-2007135081-A1 HISTAMINE RECEPTOR ANTAGONISTS COMPRISING AN AZEPIN CORE GLAXO GROUP LIMITED (GB) 2007-11-29 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-20090181950-A1 Histamine Receptor Antagonists Comprising an Azepin Core HRH2, HRH1, HRH4 BACE1 1697/4885KCNH2 808/4885SMPD3 1431/4885

“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.