SCHEMBL1744106

SCHEMBL1744106

O=C(c1ccc(-c2ccc(N3CCN(C4CC4)CC3)nc2)cc1)N1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 2/20 0.55
POLB P06746 1/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
L3MBTL3 Q96JM7 12/20 0.54
L3MBTL1 Q9Y468 11/20 0.54
MBTD1 Q05BQ5 6/20 0.54
TP53BP1 Q12888 2/20 0.52
L3MBTL4 Q8NA19 2/20 0.52
MAPK1 P28482 1/20 0.49
SLC6A7 Q99884 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ADRA1A P35348 2/20 0.48
MGLL Q99685 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL1742822 0.97 L3MBTL3 (0.56) ALDH1A1HPGDKDM4EPOLBALOX15
Hydrochloric Acid SCHEMBL4010524 0.95 L3MBTL3 (0.55) ALDH1A1HPGDKDM4EPOLBALOX15
SCHEMBL13648890 0.90 ALDH1A1 (0.67) ALDH1A1HPGDKDM4EPOLBALOX15
Hydrochloric Acid SCHEMBL3977312 0.89 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EPOLBALOX15
SCHEMBL13648899 0.89 ALDH1A1 (0.64) ALDH1A1HPGDKDM4EPOLBALOX15
SCHEMBL1743097 0.89 L3MBTL1 (0.55) ALDH1A1KDM4EPOLBL3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL3971039 0.88 ALDH1A1 (0.63) ALDH1A1HPGDKDM4EPOLBALOX15
SCHEMBL22750959 0.88 HPGD (0.65) ALDH1A1HPGDKDM4EPOLBALOX15
SCHEMBL3975118 0.87 ALDH1A1 (0.65) ALDH1A1HPGDKDM4EPOLBALOX15
SCHEMBL1744074 0.87 ALDH1A1 (0.60) ALDH1A1HPGDKDM4EPOLBALOX15

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2386554-A1 Compounds active at the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2011-11-16 EP claimed
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-2386554-A1 Compounds active at the histamine H3 receptor High Point Pharmaceuticals, LLC (US) 2011-11-16 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 ALDH1A1 4021/4885HPGD 676/4885KDM4E 3732/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 ALDH1A1 4021/4885HPGD 676/4885KDM4E 3732/4885

“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.