SCHEMBL2854558

SCHEMBL2854558

COC(=O)CCc1cnc2c(N3CCN(C(=O)OC(C)(C)C)CC3)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ACHE P22303 2/20 0.44
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
GPR119 Q8TDV5 4/20 0.42
BACE1 P56817 2/20 0.41
SLC2A1 P11166 1/20 0.41
PTPN11 Q06124 1/20 0.41
TLR9 Q9NR96 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
MAP4K4 O95819 1/20 0.40
KIT P10721 2/20 0.40
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PBRM1 Q86U86 1/20 0.39
ACKR3 P25106 1/20 0.39

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
SCHEMBL3916322 0.86 HRH1 (0.45) HRH1KCNH2HRH3GPR119KIT
SCHEMBL2852759 0.83 HTR6 (0.50) HRH1KCNH2HRH3
SCHEMBL2848519 0.82 HRH1 (0.43) HRH1KCNH2HRH3ACHECKS1B
SCHEMBL4802880 0.80 MAPK1 (0.46) ACHECKS1BSKP1SKP2GPR119
SCHEMBL520960 0.80 CKS1B (0.49) KCNH2ACHECKS1BSKP1SKP2
SCHEMBL520241 0.80 MAP4K4 (0.50) ACHECKS1BSKP1SKP2GPR119
SCHEMBL2878178 0.79 KMT2A (0.49) ACHECKS1BSKP1SKP2GPR119
SCHEMBL2878173 0.79 KMT2A (0.49) ACHECKS1BSKP1SKP2GPR119
SCHEMBL4800091 0.77 CKS1B (0.51) ACHECKS1BSKP1SKP2GPR119
SCHEMBL23640644 0.76 GPR119 (0.48) HRH3ACHECKS1BSKP1SKP2

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 HRH1 2/4885KCNH2 808/4885HRH3 4/4885

“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.