SCHEMBL1744762

SCHEMBL1744762

Brc1ccc(N2CCN(C3CCC3)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.49
AKR1C3 P42330 1/20 0.48
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46
PDE10A Q9Y233 1/20 0.43
PANK3 Q9H999 1/20 0.41
OGA O60502 1/20 0.41
RET P07949 1/20 0.41

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
SCHEMBL3621738 0.97 HRH3 (0.51) HRH3AKR1C3GRIN2DGRIN3BGRIN1
SCHEMBL1466003 0.94 AKR1C3 (0.50) HRH3AKR1C3GRIN2DGRIN3BGRIN1
SCHEMBL5258100 0.88 L3MBTL3 (0.50) HRH3AKR1C3GRIN2DGRIN3BGRIN1
SCHEMBL4122718 0.87 HRH3 (0.42) HRH3AKR1C3GRIN2DGRIN3BGRIN1
SCHEMBL23263993 0.87 MAP4K4 (0.51) HRH3AKR1C3GRIN2DGRIN3BGRIN1
SCHEMBL30294197 0.87 MAP4K4 (0.51) HRH3AKR1C3GRIN2DGRIN3BGRIN1
SCHEMBL5623842 0.84 GRIN2D (0.48) HRH3AKR1C3GRIN2DGRIN3BGRIN1
SCHEMBL29351375 0.84 GRIN2D (0.46) HRH3AKR1C3GRIN2DGRIN3BGRIN1
SCHEMBL25196498 0.84 GRIN2D (0.46) HRH3AKR1C3GRIN2DGRIN3BGRIN1
SCHEMBL4134876 0.83 GRIN2D (0.40) HRH3AKR1C3GRIN2DGRIN3BGRIN1

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 13 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-100569767-C Phenylpyridylpiperazcompounds compounds, their preparation method and the pharmaceutical composition that comprises them SERVIER LAB (FR) 2009-12-16 CN disclosed
US-7494994-B2 Phenylpyridylpiperazine compounds LES LABORATOIRES SERVIER (FR) 2009-02-24 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
US-20060258670-A1 New phenylpyridylpiperazine compounds LES LABORATOIRES SERVIER (FR) 2006-11-16 US disclosed
EP-1721897-A1 Phenylpyridinylpiperazin derivatives, the process to make them and the pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2006-11-15 EP 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 (3 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-20060258670-A1 New phenylpyridylpiperazine compounds HRH4, HRH3, HRH2 HRH3 2/4885AKR1C3 412/4885GRIN2D 892/4885
US-20120232078-A1 Novel Medicaments HRH3, HRH4, HRH1 HRH3 1/4885AKR1C3 3089/4885GRIN2D 1506/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 HRH3 1/4885AKR1C3 3089/4885GRIN2D 1506/4885

“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.