SCHEMBL1744083

SCHEMBL1744083

Brc1cnc(N2CCN(C3CC3)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.39
CXCR3 P49682 1/20 0.38
PANK3 Q9H999 1/20 0.38
DRD2 P14416 4/20 0.37
DRD3 P35462 1/20 0.37
DRD4 P21917 4/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
OPRK1 P41145 1/20 0.36
PTPN11 Q06124 1/20 0.36

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
SCHEMBL3529500 0.84 HRH3 (0.54) HRH3OPRK1
SCHEMBL14027020 0.82 CYP3A4 (0.39) HRH3CXCR3OPRK1
SCHEMBL5145809 0.82 KHK (0.39) HTR2A
SCHEMBL82021 0.81 GPR119 (0.44) HRH3DRD2DRD3
SCHEMBL19035629 0.79 LMNA (0.52) DRD2DRD3DRD4HTR1A
SCHEMBL1466003 0.77 AKR1C3 (0.50) HRH3PANK3
SCHEMBL20606125 0.77 PTPN11 (0.37) HRH3DRD2DRD3DRD4HTR1A
SCHEMBL30141570 0.77 GRM2 (0.40) CXCR3PANK3
SCHEMBL3779247 0.76 ALDH1A1 (0.50) HRH3PANK3PTPN11
SCHEMBL11359955 0.76 MAPT (0.53)

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
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 1/4885CXCR3 1295/4885PANK3 1465/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 HRH3 1/4885CXCR3 1295/4885PANK3 1465/4885

“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.