SCHEMBL1742290

SCHEMBL1742290

O=C(c1ccc(-c2ccc(N3CCN(CC4CC4)CC3)nc2)cc1)N1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.52
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SLC6A7 Q99884 2/20 0.47
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MGLL Q99685 5/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HRH3 Q9Y5N1 2/20 0.43
NAMPT P43490 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL1744634 0.85 RET (0.45) SLC6A7MGLLEGLN1
SCHEMBL22750959 0.85 HPGD (0.65) HPGDALDH1A1KDM4EPOLBALOX15
SCHEMBL1742261 0.84 NPC1 (0.47) HPGDALDH1A1KDM4EPOLBALOX15
SCHEMBL1744106 0.83 ALDH1A1 (0.55) HPGDALDH1A1KDM4EPOLBALOX15
SCHEMBL1742822 0.82 L3MBTL3 (0.56) HPGDALDH1A1KDM4EPOLBALOX15
Hydrochloric Acid SCHEMBL4010524 0.81 L3MBTL3 (0.55) HPGDALDH1A1KDM4EPOLBALOX15
SCHEMBL1742588 0.80 HRH3 (0.50) ALDH1A1L3MBTL1TSHRHRH3CYP2C19
SCHEMBL1743019 0.79 HPGD (0.55) HPGDALDH1A1KDM4EPOLBALOX15
Hydrochloric Acid SCHEMBL4002410 0.78 HPGD (0.54) HPGDALDH1A1KDM4EPOLBALOX15
SCHEMBL1743100 0.77 RET (0.43)

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 18 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-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
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 HPGD 676/4885ALDH1A1 4021/4885KDM4E 3732/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 HPGD 676/4885ALDH1A1 4021/4885KDM4E 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.