SCHEMBL1744033

SCHEMBL1744033

Cc1cccc(-c2ccc(N3CCN(C(C)C)CC3)nc2)n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.49
TLR8 Q9NR97 3/20 0.49
TLR7 Q9NYK1 2/20 0.49
ACVR1 Q04771 1/20 0.48
HRH3 Q9Y5N1 4/20 0.46
KCNH2 Q12809 1/20 0.46
CACNA1C Q13936 1/20 0.46
ASIC3 Q9UHC3 1/20 0.46
CNR2 P34972 3/20 0.45
FYN P06241 1/20 0.41
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41
HTR3A P46098 1/20 0.41
HTR3D Q70Z44 1/20 0.41
HTR3C Q8WXA8 1/20 0.41
CYP2A6 P11509 1/20 0.41
RET P07949 1/20 0.40
HDAC4 P56524 1/20 0.39
TNKS O95271 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
SCHEMBL1744256 0.82 ZAP70 (0.50) HRH3KCNH2CACNA1CASIC3CNR2
SCHEMBL1743039 0.82 CNR2 (0.68) TLR9TLR8TLR7ACVR1HRH3
SCHEMBL15166541 0.81 TLR9 (0.55) TLR9TLR8TLR7ACVR1HRH3
SCHEMBL1742415 0.80 HRH3 (0.67) TLR9TLR8TLR7ACVR1HRH3
SCHEMBL29883493 0.79 MAPK14 (0.45) TLR9TLR8TLR7ACVR1HRH3
SCHEMBL15344946 0.77 HTR3E (0.67) HRH3KCNH2HTR3EHTR3BHTR3A
SCHEMBL1742817 0.76 TLR9 (0.48) TLR9TLR8TLR7ACVR1HRH3
SCHEMBL1742215 0.75 TLR9 (0.53) TLR9TLR8TLR7ACVR1HRH3
SCHEMBL1742778 0.75 TLR9 (0.47) TLR9TLR8TLR7ACVR1HRH3
SCHEMBL10084688 0.74 HRH3 (0.61) TLR9TLR8TLR7HRH3

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 17 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
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 680/4885TLR7 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.