SCHEMBL4897955

SCHEMBL4897955

O=[N+]([O-])c1cc(C(F)(F)F)c(Br)cc1NC1CCN(C2CCOCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 4/20 0.38
WNK1 Q9H4A3 2/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RAB9A P51151 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
BCL6 P41182 1/20 0.36
BCOR Q6W2J9 1/20 0.36
PKM P14618 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HCAR3 P49019 3/20 0.35
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL4896948 0.88 MAPK1 (0.43) MAPK1NPSR1MAPTWNK1MEN1
SCHEMBL603526 0.86 MAPK1 (0.39) MAPK1NPSR1MAPTWNK1MEN1
SCHEMBL602875 0.86 MAPK1 (0.39) MAPK1NPSR1MAPTWNK1MEN1
SCHEMBL602874 0.86 MAPK1 (0.39) MAPK1NPSR1MAPTWNK1MEN1
SCHEMBL4907442 0.86 IRAK4 (0.44) MAPK1NPSR1MAPTWNK1MEN1
SCHEMBL601960 0.83 MAPK1 (0.39) MAPK1NPSR1MAPTWNK1MEN1
SCHEMBL601796 0.83 MAPK1 (0.39) MAPK1NPSR1MAPTWNK1MEN1
SCHEMBL601797 0.83 MAPK1 (0.39) MAPK1NPSR1MAPTWNK1MEN1
SCHEMBL4903203 0.83 IRAK4 (0.36) HRH3IRAK4
SCHEMBL4935780 0.79 MAPT (0.49) MAPK1MAPTWNK1MEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
US-8288412-B2 Psychological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-16 US disclosed
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
EP-1960389-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
US-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine GLAXO GROUP LIMITED (GB) 2008-11-27 US disclosed
WO-2007036718-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 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 (1 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-20080293770-A1 Compounds Which Have Activity at M1 Receptor and Their Uses In Medicine CHRM1, CHRM2, CHRM5 MAPK1 936/4885NPSR1 44/4885MAPT 1684/4885

“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.