SCHEMBL1744220

SCHEMBL1744220

CC(C)(C)CN(C(=O)O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.46
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
LIPG Q9Y5X9 9/20 0.44
LPL P06858 8/20 0.44
P4HB P07237 1/20 0.41
DGAT1 O75907 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL14672713 0.84 LIPG (0.51) F11F2PRSS1PRSS2PRSS3
SCHEMBL28817133 0.82 LIPG (0.53) F11F2PRSS1PRSS2PRSS3
SCHEMBL5624405 0.78 LIPG (0.42) F11F2PRSS1PRSS2PRSS3
SCHEMBL2136697 0.78 LIPG (0.46) F11F2PRSS1PRSS2PRSS3
SCHEMBL15092469 0.76 F11 (0.40) F11F2PRSS1PRSS2PRSS3
SCHEMBL15092467 0.76 F11 (0.40) F11F2PRSS1PRSS2PRSS3
SCHEMBL2456860 0.76 LIPG (0.50) F11F2PRSS1PRSS2PRSS3
SCHEMBL14167701 0.75 LIPG (0.49) F11F2PRSS1PRSS2PRSS3
SCHEMBL443872 0.75 LIPG (0.57) F11F2PRSS1PRSS2PRSS3
SCHEMBL2595119 0.75 AAK1 (0.45) F11F2PRSS1PRSS2PRSS3

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 F11 4054/4885F2 3628/4885PRSS1 2320/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 F11 4054/4885F2 3628/4885PRSS1 2320/4885

“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.