SCHEMBL1744440

SCHEMBL1744440

Cc1cc(N2CCN(C(C)C)CC2)ncc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.48
TLR8 Q9NR97 1/20 0.48
TLR7 Q9NYK1 1/20 0.48
HRH3 Q9Y5N1 8/20 0.47
OGA O60502 1/20 0.46
MAP4K4 O95819 1/20 0.42
CHEK1 O14757 1/20 0.40
ACVR1 Q04771 2/20 0.40
TGFBR1 P36897 1/20 0.40
WNT1 P04628 2/20 0.40
GSK3B P49841 2/20 0.40
DYRK1A Q13627 2/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
ADH5 P11766 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
SCHEMBL1742838 0.88 AKR1C3 (0.46) TLR9TLR8TLR7HRH3OGA
SCHEMBL1742297 0.88 HRH3 (0.50) TLR9TLR8TLR7HRH3ACVR1
SCHEMBL1742792 0.83 TLR9 (0.46) TLR9TLR8TLR7OGAWNT1
SCHEMBL1743345 0.82 HRH3 (0.57) TLR9TLR8TLR7HRH3OGA
Trifluoroacetic Acid SCHEMBL3147565 0.80 KDM4E (0.46) TLR9TLR8TLR7WNT1GSK3B
SCHEMBL30109094 0.79 HRH3 (0.69) HRH3OGA
SCHEMBL1743185 0.78 HRH3 (0.46) TLR9TLR8TLR7HRH3OGA
SCHEMBL1744351 0.78 CHEK1 (0.46) TLR8HRH3OGAMAP4K4CHEK1
SCHEMBL12159815 0.77 TLR9 (0.43) TLR9TLR8TLR7HRH3WNT1
SCHEMBL1744088 0.76 PIK3C3 (0.46) TLR9TLR8TLR7CHEK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846677-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2014-09-30 US disclosed
US-8501739-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-06 US disclosed
CN-103110635-A Histamine H3 receptor antagonist NOVO NORDISK AS 2013-05-22 CN disclosed
US-20120232078-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2012-09-13 US disclosed
EP-2386554-A1 Compounds active at the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2011-11-16 EP disclosed
EP-2233470-A1 Histamine H3 receptor antagonists High Point Pharmaceuticals, LLC (US) 2010-09-29 EP disclosed
US-20090312309-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2009-12-17 US disclosed
CN-101218206-A Histamine H3 receptor antagonists NOVO NORDISK AS (DK) 2008-07-09 CN disclosed
EP-1902028-A2 HISTAMINE H3 RECEPTOR ANTAGONISTS Novo Nordisk A/S (DK) 2008-03-26 EP disclosed
WO-2007003604-A2 HISTS1MINE H3 RECEPTOR ANTAGONISTS NOVO NORDISK A/S (DK) 2007-01-11 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 (2 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-20120232078-A1 Novel Medicaments HRH3, HRH4, HRH1 TLR9 1791/4885TLR8 680/4885TLR7 821/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 TLR9 1791/4885TLR8 680/4885TLR7 821/4885

“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.