SCHEMBL1744319

SCHEMBL1744319

Cc1cc(-c2cccc(C(=O)O)c2)cnc1N1CCN(C(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LDHA P00338 3/20 0.46
LDHB P07195 2/20 0.46
PIK3CG P48736 1/20 0.41
AXL P30530 2/20 0.41
KMO O15229 2/20 0.40
AOC3 Q16853 3/20 0.40
MAP4K4 O95819 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
CYP11B2 P19099 1/20 0.39
SLC6A7 Q99884 1/20 0.39
ALOX5AP P20292 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
SCHEMBL1742440 0.88 CYP3A4 (0.44) AOC3
SCHEMBL1744351 0.87 CHEK1 (0.46) PIK3CGMAP4K4
SCHEMBL12159871 0.86 AOC3 (0.38) LDHALDHBAOC3CYP11B2SLC6A7
SCHEMBL1743223 0.82 HRH3 (0.50) LDHALDHBKMOAOC3
SCHEMBL1743030 0.82 CYP11B2 (0.49) CYP11B2
SCHEMBL1742838 0.79 AKR1C3 (0.46) LDHALDHBAXLAKR1C3AKR1C2
SCHEMBL1743183 0.78 CLK4 (0.47) CYP11B2
SCHEMBL1744142 0.76 HTT (0.42)
SCHEMBL1742352 0.72 AOC3 (0.45) AOC3SLC6A7
SCHEMBL1742848 0.72 SMN1; SMN2 (0.41)

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 9 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
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 LDHA 1338/4885LDHB 1176/4885PIK3CG 2476/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 LDHA 1338/4885LDHB 1176/4885PIK3CG 2476/4885

“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.