SCHEMBL1744088

SCHEMBL1744088

CC(=O)Nc1cccc(-c2cnc(N3CCN(C(C)C)CC3)cc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.46
USP7 Q93009 2/20 0.45
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
PTPN11 Q06124 1/20 0.42
CHEK1 O14757 1/20 0.42
FGFR1 P11362 1/20 0.42
NEK2 P51955 1/20 0.42
MAPK15 Q8TD08 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
TP53 P04637 1/20 0.41
STAT1 P42224 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
DRD2 P14416 2/20 0.41
DRD4 P21917 2/20 0.41

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
SCHEMBL1742792 0.89 TLR9 (0.46) TLR9TLR8TLR7PTPN11RXFP1
SCHEMBL1742570 0.85 HRH3 (0.48) PIK3C3USP7CHEK1FGFR1NEK2
SCHEMBL1742941 0.82 NPC1 (0.42) NPC1RAB9ARXFP1TP53SMN1; SMN2
Trifluoroacetic Acid SCHEMBL3147565 0.82 KDM4E (0.46) TLR9TLR8TLR7PTPN11
SCHEMBL1742838 0.82 AKR1C3 (0.46) TLR9TLR8TLR7PTPN11
SCHEMBL1743030 0.80 CYP11B2 (0.49) USP7PTPN11CHEK1FGFR1NEK2
SCHEMBL1743185 0.80 HRH3 (0.46) TLR9TLR8TLR7SMN1; SMN2FYN
SCHEMBL12159815 0.78 TLR9 (0.43) TLR9TLR8TLR7PTPN11RAF1
SCHEMBL1744154 0.78 NPC1 (0.61) NPC1RAB9ATP53
SCHEMBL4184608 0.78 GRIN2D (0.57)

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 21 patents — showing the first 20. 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-8846677-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2014-09-30 US disclosed
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
US-8501739-B2 Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2013-08-06 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
US-20120232078-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2012-09-13 US disclosed
EP-2233470-B1 Histamine H3 receptor antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2011-12-07 EP 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
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
US-20090312309-A1 Novel Medicaments HIGH POINT PHARMACEUTICALS, LLC (US) 2009-12-17 US 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
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 PIK3C3 2275/4885USP7 2447/4885TLR9 1791/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 PIK3C3 2275/4885USP7 2447/4885TLR9 1791/4885

“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.