SCHEMBL2854544

SCHEMBL2854544

COC(=O)C=Cc1ccc2cc(Cc3ccccc3)cc(N3CCN(C(=O)OC(C)(C)C)CC3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
SLC2A1 P11166 1/20 0.42
ALK Q9UM73 1/20 0.41
PTPN11 Q06124 1/20 0.40
TLR9 Q9NR96 4/20 0.40
TLR7 Q9NYK1 2/20 0.40
USP30 Q70CQ3 1/20 0.40
P2RX7 Q99572 1/20 0.39
BACE1 P56817 2/20 0.39
SCD O00767 1/20 0.39
SCD5 Q86SK9 1/20 0.39
KIT P10721 1/20 0.39
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL2854539 1.00 ACHE (0.45) ACHECKS1BSKP1SKP2SLC2A1
SCHEMBL2852692 0.90 CKS1B (0.40) ACHECKS1BSKP1SKP2SLC2A1
SCHEMBL2852695 0.90 CKS1B (0.40) ACHECKS1BSKP1SKP2SLC2A1
SCHEMBL3909168 0.88 ADRA1A (0.37) KITADRA1AHRH1ADRA1BKCNH2
SCHEMBL2850831 0.84 BACE1 (0.44) ACHECKS1BSKP1SKP2USP30
SCHEMBL2850829 0.84 BACE1 (0.44) ACHECKS1BSKP1SKP2USP30
SCHEMBL3913434 0.77 KIT (0.37) KITADRA1AHRH1ADRA1BKCNH2
SCHEMBL2878173 0.73 KMT2A (0.49) ACHECKS1BSKP1SKP2PTPN11
SCHEMBL2878178 0.73 KMT2A (0.49) ACHECKS1BSKP1SKP2PTPN11
SCHEMBL3915607 0.72 KIT (0.38) BACE1KIT

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 ACHE 1204/4885CKS1B 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.