SCHEMBL1742778

SCHEMBL1742778

CC(C)N1CCN(c2ccc(-c3cccnc3)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.47
TLR8 Q9NR97 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2D6 P10635 2/20 0.47
CLK4 Q9HAZ1 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TLR7 Q9NYK1 2/20 0.47
HRH3 Q9Y5N1 2/20 0.46
ACVR1 Q04771 1/20 0.45
CNR2 P34972 4/20 0.45
CYP2A6 P11509 2/20 0.43
GPR55 Q9Y2T6 3/20 0.42
RET P07949 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL1742758 0.86 TLR9 (0.52) TLR9TLR8TLR7HRH3ACVR1
SCHEMBL1743179 0.84 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2D6CLK4
SCHEMBL15166541 0.84 TLR9 (0.55) TLR9TLR8TLR7HRH3ACVR1
SCHEMBL5238828 0.84 CNR2 (0.54) ALDH1A1CYP1A2CYP3A4CYP2D6CLK4
SCHEMBL1742215 0.81 TLR9 (0.53) TLR9TLR8TLR7HRH3ACVR1
SCHEMBL1742814 0.80 HRH3 (0.52) TLR9TLR8TLR7HRH3ACVR1
SCHEMBL1744089 0.80 CNR2 (0.49) TLR9TLR8TLR7HRH3ACVR1
SCHEMBL12159751 0.80 TLR9 (0.48) TLR9TLR8TLR7HRH3ACVR1
SCHEMBL1743039 0.80 CNR2 (0.68) TLR9TLR8TLR7HRH3ACVR1
SCHEMBL29618389 0.79 ACVR1 (0.57) ACVR1

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 18 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-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
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-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
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
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 680/4885ALDH1A1 4021/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 TLR9 1791/4885TLR8 680/4885ALDH1A1 4021/4885

“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.