SCHEMBL1740261

SCHEMBL1740261

Cc1cc(N2CCN(C(C)C)CC2)ncc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.40
TLR9 Q9NR96 5/20 0.40
TLR7 Q9NYK1 4/20 0.40
HRH3 Q9Y5N1 3/20 0.40
OGA O60502 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
LRRK2 Q5S007 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HTR3A P46098 1/20 0.36
SMO Q99835 1/20 0.35
TLR4 O00206 1/20 0.35

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
SCHEMBL20640242 0.82 CNR2 (0.41) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1460190 0.78 CYP1A2 (0.47) ALDH1A1CYP1A2JAK2JAK1TYK2
SCHEMBL22115009 0.78 ALDH1A1 (0.38) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1460126 0.78 ALDH1A1 (0.58) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1744215 0.77 GAA (0.41) HRH3LRRK2JAK2JAK1TYK2
SCHEMBL22138240 0.77 ALDH1A1 (0.39) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL17977039 0.76 SMO (0.43) ALDH1A1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL21768430 0.76 SMO (0.54) ALDH1A1SMOHDAC4
SCHEMBL12159758 0.76 HRH3 (0.43) TLR8TLR9TLR7HRH3OGA
SCHEMBL15205378 0.75 ALDH1A1 (0.40) ALDH1A1MAPTLRRK2CYP1A2CYP2C9

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 21 patents — showing the first 20. 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-2233470-B1 Histamine H3 receptor antagonists HIGH POINT PHARMACEUTICALS LLC (US) 2011-12-07 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
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
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
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 TLR8 680/4885TLR9 1791/4885TLR7 821/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 TLR8 680/4885TLR9 1791/4885TLR7 821/4885

“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.