SCHEMBL1744081

SCHEMBL1744081

c1cc2c(cc1-c1ccc(N3CCN(C4CC4)CC3)nn1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 4/20 0.41
CNR2 P34972 1/20 0.40
NPC1 O15118 7/20 0.40
RAB9A P51151 7/20 0.40
SMN1; SMN2 Q16637 6/20 0.40
HRH3 Q9Y5N1 4/20 0.39
TP53 P04637 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SCD O00767 1/20 0.39
PKM P14618 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PIK3CD O00329 1/20 0.37
PIK3CG P48736 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
SCHEMBL181094 0.93 CHRM4 (0.44) MAPTALDH1A1KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL181795 0.92 CHRM4 (0.43) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL4288437 0.88 ALDH1A1 (0.39) MAPTALDH1A1KDM4ECNR2NPC1
SCHEMBL1744219 0.84 CYP11B1 (0.45) CNR2SCDPIK3CDPIK3CG
SCHEMBL3776361 0.83 ALDH1A1 (0.39) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL4287041 0.81 CHRM4 (0.39) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL12159768 0.81 PIK3CD (0.36) CNR2NPC1RAB9AHRH3SCD
SCHEMBL1744213 0.81 OGA (0.47) MAPTALDH1A1KDM4ECNR2NPC1
SCHEMBL1742575 0.80 HRH3 (0.45) MAPTALDH1A1KDM4ENPC1RAB9A
SCHEMBL1742578 0.80 HRH3 (0.45) MAPTALDH1A1KDM4ENPC1RAB9A

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
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

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 MAPT 2828/4885ALDH1A1 4021/4885KDM4E 3732/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 MAPT 2828/4885ALDH1A1 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.