SCHEMBL1743465

SCHEMBL1743465

Brc1cnc(N2CCN3CCCCC3C2)cn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.50
HDAC1 Q13547 1/20 0.45
MAP4K4 O95819 1/20 0.43
HRH4 Q9H3N8 3/20 0.42
SOS1 Q07889 2/20 0.39
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
CDC42BPA Q5VT25 2/20 0.36
CDC42BPB Q9Y5S2 2/20 0.36
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
HRH1 P35367 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL82191 0.84 HRH3 (0.51) HRH3HDAC1MAP4K4HRH4SOS1
SCHEMBL82190 0.79 MAP4K4 (0.47) HRH3HDAC1MAP4K4HRH4SOS1
SCHEMBL19035556 0.78 HRH3 (0.51) HRH3HDAC1MAP4K4ROCK2ROCK1
SCHEMBL23263993 0.77 MAP4K4 (0.51) HRH3HDAC1MAP4K4HRH4
SCHEMBL30294197 0.77 MAP4K4 (0.51) HRH3HDAC1MAP4K4HRH4
SCHEMBL2324509 0.74 HRH3 (0.47) HRH3HDAC1MAP4K4HRH4ROCK2
SCHEMBL421586 0.74 CHRNB2 (0.41) LMNA
SCHEMBL14161712 0.74 MAP4K4 (0.47) HRH3MAP4K4ROCK2ROCK1CDC42BPA
SCHEMBL4127851 0.73 HRH3 (0.37) HRH3
SCHEMBL1779679 0.72 HRH3 (0.45) HRH3HDAC1MAP4K4HRH4

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 8 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
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 1/4885HDAC1 471/4885MAP4K4 1444/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 HRH3 1/4885HDAC1 471/4885MAP4K4 1444/4885

“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.