SCHEMBL1744444

SCHEMBL1744444

CC(C)c1cc(N2CCN(C(C)C)CC2)nnc1-c1ccc(Br)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CSNK1D P48730 2/20 0.35
MAPK14 Q16539 2/20 0.35
MAPK11 Q15759 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
TLR9 Q9NR96 4/20 0.34
TLR8 Q9NR97 4/20 0.34
TLR7 Q9NYK1 3/20 0.34
OGA O60502 1/20 0.34
LRRK2 Q5S007 4/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
HRH4 Q9H3N8 1/20 0.33

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
SCHEMBL1744312 0.83 HRH3 (0.41) HRH3CSNK1DMAPK14OGA
SCHEMBL1742294 0.80 HRH3 (0.43) HRH3ALDH1A1KDM5BOGA
SCHEMBL1744196 0.80 TRPV1 (0.41) L3MBTL1SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL3150420 0.76 MAPT (0.50) HRH3SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL3971714 0.73 KMT2A (0.40) HRH3ALDH1A1CSNK1DMAPK14TLR9
SCHEMBL13648914 0.71 CSNK1D (0.47) HRH3L3MBTL1SMN1; SMN2ALDH1A1NPSR1
Hydrochloric Acid SCHEMBL3971682 0.70 CSNK1D (0.46) HRH3L3MBTL1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL1753166 0.68 MAPK14 (0.76) HRH3CSNK1DMAPK14MAPK11
SCHEMBL1753175 0.68 MAPK14 (0.76) HRH3CSNK1DMAPK14MAPK11
SCHEMBL2543118 0.67 KDM4E (0.67) HRH3ALDH1A1KDM4EMAPTPKM

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 HRH3 1/4885L3MBTL1 4157/4885SMN1; SMN2 3870/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 HRH3 1/4885L3MBTL1 4157/4885SMN1; SMN2 3870/4885

“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.