SCHEMBL1744858

SCHEMBL1744858

Fc1cccc(F)c1-c1ccc(Cl)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.48
PIK3CD O00329 1/20 0.47
PTGES O14684 2/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NOTUM Q6P988 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
TTR P02766 1/20 0.40
NFE2L2 Q16236 1/20 0.39
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
KCNE1 P15382 1/20 0.39

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
SCHEMBL30995554 0.81 CYP2A6 (0.37) CYP2A6PIK3CDPTGESNPC1RAB9A
SCHEMBL1744099 0.78 CYP2A6 (0.47) CYP2A6PIK3CDNPC1RAB9AALDH1A1
SCHEMBL1870901 0.77 PTGES (0.38) CYP2A6PIK3CDPTGESNPC1RAB9A
SCHEMBL1871032 0.76 PTGES (0.38) PTGESL3MBTL1
SCHEMBL20259408 0.76 HPGDS (0.46) PTGESNPC1RAB9AALOX5APFEN1
SCHEMBL1662273 0.75 PIK3CD (0.73) CYP2A6PIK3CDNPC1RAB9AALDH1A1
SCHEMBL1743003 0.74 CYP2A6 (0.56) CYP2A6PIK3CDNPC1RAB9ANFE2L2
SCHEMBL1744354 0.72 PIK3CD (0.57) CYP2A6PIK3CDNPC1RAB9AALDH1A1
SCHEMBL20252769 0.72 ALOX5AP (0.41) PTGESNPC1RAB9ACASP3SENP8
SCHEMBL17680262 0.72 ALOX5AP (0.41) CYP2A6PTGESALOX5APFEN1TTR

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 CYP2A6 4039/4885PIK3CD 3134/4885PTGES 784/4885
US-20090312309-A1 Novel Medicaments HRH3, HRH4, HRH1 CYP2A6 4039/4885PIK3CD 3134/4885PTGES 784/4885

“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.