SCHEMBL1744087

SCHEMBL1744087

CC(C)N1CCN(c2cnc(-c3ccc(CC#N)cc3)cn2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.39
FYN P06241 2/20 0.38
PIK3CD O00329 1/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
HCK P08631 1/20 0.37
SRC P12931 1/20 0.37
KDR P35968 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
MTOR P42345 1/20 0.37
PIK3CG P48736 1/20 0.37
EPHB4 P54760 1/20 0.37
PRKDC P78527 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
PANK3 Q9H999 3/20 0.35
LRRK2 Q5S007 2/20 0.34
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 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
SCHEMBL1742351 0.84 HRH3 (0.44) RETFYNHRH3PANK3
SCHEMBL3037985 0.84 FYN (0.42) FYNHRH3PANK3LRRK2TLR9
SCHEMBL1743226 0.80 ALK (0.46) FYNHRH3LRRK2TLR9TLR8
SCHEMBL1744057 0.80 FYN (0.55) RETFYNMTORHRH3LRRK2
SCHEMBL1743645 0.79 HRH3 (0.48) FYNHRH3ACVR1
SCHEMBL1742937 0.79 GPR119 (0.43) RETFYNPIK3CDABL1EGFR
SCHEMBL9986453 0.78 ACHE (0.47) PIK3CDABL1EGFRHCKSRC
SCHEMBL1742276 0.78 FYN (0.40) RETFYNHRH3PANK3LRRK2
SCHEMBL1742562 0.77 SMO (0.46) HRH3PANK3ACVR1
SCHEMBL1744067 0.77 HRH3 (0.45) FYNHRH3LRRK2TLR9TLR8

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 16 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-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 RET 453/4885FYN 3974/4885PIK3CD 3134/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 RET 453/4885FYN 3974/4885PIK3CD 3134/4885

“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.