SCHEMBL1742952

SCHEMBL1742952

COc1cc(-c2ccc(N3CCN(C4CCC4)CC3)nn2)ccc1NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
NPC1 O15118 7/20 0.44
RAB9A P51151 7/20 0.44
KDM2B Q8NHM5 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
SCD O00767 1/20 0.42
TP53 P04637 6/20 0.42
MAPT P10636 5/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
KMT2A Q03164 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL1742851 0.96 NPC1 (0.46) HRH3NPC1RAB9AHSD17B1HSD17B2
SCHEMBL3977349 0.82 TLR8 (0.49) HRH3NPC1RAB9ATP53MAPT
SCHEMBL13648901 0.80 TP53 (0.50) HRH3NPC1RAB9ATP53MAPT
Hydrochloric Acid SCHEMBL181471 0.79 TP53 (0.49) HRH3NPC1RAB9ATP53MAPT
SCHEMBL3767484 0.79 MAPK1 (0.49) HRH3NPC1RAB9ATP53MAPT
SCHEMBL1743158 0.78 NPC1 (0.58) NPC1RAB9AKDM2BSCDTP53
SCHEMBL3970716 0.78 LMNA (0.53) HRH3NPC1RAB9ASCDTP53
SCHEMBL1742397 0.77 NPC1 (0.57) HRH3NPC1RAB9AKDM2BSCD
SCHEMBL1742755 0.77 NPC1 (0.61) HRH3NPC1RAB9ATP53MAPT
SCHEMBL4934204 0.76 TP53 (0.44) HRH3NPC1RAB9ATP53MAPT

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 14 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-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
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
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.