SCHEMBL2850831

SCHEMBL2850831

COC(=O)C=Cc1ccc2cc(Br)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.44
CKS1B P61024 2/20 0.39
SKP1 P63208 2/20 0.39
SKP2 Q13309 2/20 0.39
KCNH2 Q12809 2/20 0.39
MAP4K4 O95819 1/20 0.38
ABCB1 P08183 2/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
SMPD3 Q9NY59 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.37
ACHE P22303 1/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.36
USP30 Q70CQ3 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
SCHEMBL2850829 1.00 BACE1 (0.44) BACE1CKS1BSKP1SKP2KCNH2
SCHEMBL2852695 0.87 CKS1B (0.40) BACE1CKS1BSKP1SKP2KCNH2
SCHEMBL2852692 0.87 CKS1B (0.40) BACE1CKS1BSKP1SKP2KCNH2
SCHEMBL2851031 0.86 BACE1 (0.46) BACE1CKS1BSKP1SKP2KCNH2
SCHEMBL3915607 0.85 KIT (0.38) BACE1ALDH1A1LMNAHTTMAPT
SCHEMBL3908051 0.85 KIT (0.38) BACE1ALDH1A1LMNAHTTMAPT
SCHEMBL2854539 0.84 ACHE (0.45) BACE1CKS1BSKP1SKP2KCNH2
SCHEMBL2854544 0.84 ACHE (0.45) BACE1CKS1BSKP1SKP2KCNH2
SCHEMBL3717083 0.83 PDE4B (0.43) USP30
SCHEMBL3713593 0.83 PDE4B (0.43) USP30

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 2 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

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 1697/4885CKS1B 3425/4885SKP1 2171/4885

“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.