SCHEMBL1744204

SCHEMBL1744204

O=CN1CCCCC1c1ccc(-c2ccc(N3CCN(C4CCCC4)CC3)nn2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.40
NPC1 O15118 6/20 0.38
RAB9A P51151 5/20 0.38
MAPT P10636 4/20 0.36
TP53 P04637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCD O00767 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 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
SCHEMBL1740888 0.85 NPC1 (0.39) HRH3NPC1RAB9AMAPTTP53
SCHEMBL1742263 0.85 NPC1 (0.38) NPC1RAB9AMAPTTP53MEN1
SCHEMBL1742827 0.84 HRH3 (0.39) HRH3MEN1KMT2A
SCHEMBL1744208 0.82 HRH3 (0.39) HRH3MEN1KMT2A
SCHEMBL3975123 0.81 HRH3 (0.41) HRH3MEN1KMT2A
SCHEMBL1743448 0.81 HRH3 (0.46) HRH3NPC1RAB9AMAPTTP53
Hydrochloric Acid SCHEMBL3972229 0.80 HRH3 (0.41) HRH3MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL3977317 0.78 HRH3 (0.41) HRH3MEN1KMT2AALDH1A1
SCHEMBL3967998 0.77 MAPT (0.51) HRH3MAPTMEN1KMT2AALDH1A1
SCHEMBL1744279 0.76 NPC1 (0.41) HRH3NPC1RAB9AMAPTTP53

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 8 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-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
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
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 1/4885NPC1 2646/4885RAB9A 4607/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 HRH3 1/4885NPC1 2646/4885RAB9A 4607/4885

“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.