SCHEMBL1742575

SCHEMBL1742575

c1cc2c(cc1-c1ccc(N3CCN4CCCC[C@@H]4C3)nn1)OCO2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
CHRM4 P08173 4/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
WDR5 P61964 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL1742578 1.00 HRH3 (0.45) HRH3CHRM4MEN1KMT2AWDR5
SCHEMBL181094 0.87 CHRM4 (0.44) HRH3CHRM4MEN1KMT2AWDR5
Hydrochloric Acid SCHEMBL181795 0.85 CHRM4 (0.43) HRH3CHRM4MEN1KMT2AWDR5
SCHEMBL12159791 0.81 HRH3 (0.47) HRH3NPC1RAB9AMAP4K4
SCHEMBL2677659 0.81 CHRNA7 (0.41) CHRM4MEN1KMT2ANPC1RAB9A
SCHEMBL4287041 0.80 CHRM4 (0.39) CHRM4MEN1KMT2AWDR5NPC1
SCHEMBL1744081 0.80 MAPT (0.41) HRH3CHRM4MEN1KMT2ANPC1
SCHEMBL1743240 0.79 SHMT2 (0.46) HRH3CHRM4MEN1KMT2ANPC1
SCHEMBL1743236 0.79 SHMT2 (0.46) HRH3CHRM4MEN1KMT2ANPC1
SCHEMBL3767733 0.77 KMT2A (0.45) HRH3CHRM4MEN1KMT2ANPC1

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 15 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-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-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
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 1/4885CHRM4 56/4885MEN1 862/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 HRH3 1/4885CHRM4 56/4885MEN1 862/4885

“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.