SCHEMBL4896948

SCHEMBL4896948

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BCL6 P41182 1/20 0.41
BCOR Q6W2J9 1/20 0.41
MAPT P10636 5/20 0.38
WNK1 Q9H4A3 2/20 0.38
RAB9A P51151 2/20 0.37
PKM P14618 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DCTPP1 Q9H773 1/20 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
HRH3 Q9Y5N1 1/20 0.35
BCL2 P10415 1/20 0.35
HCAR3 P49019 1/20 0.35
ATM Q13315 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
SCHEMBL13267830 0.91 MAPK1 (0.44) MAPK1NPSR1MAPTWNK1RAB9A
SCHEMBL14414144 0.89 MAPK1 (0.43) MAPK1NPSR1MAPTWNK1RAB9A
SCHEMBL14414146 0.89 MAPK1 (0.43) MAPK1NPSR1MAPTWNK1RAB9A
SCHEMBL4646727 0.88 BCL6 (0.48) MAPK1NPSR1BCL6BCORMAPT
SCHEMBL4897955 0.88 MAPK1 (0.41) MAPK1NPSR1BCL6BCORMAPT
SCHEMBL4903218 0.86 BCL6 (0.43) MAPK1NPSR1BCL6BCORMAPT
SCHEMBL602527 0.84 MAPK1 (0.42) MAPK1NPSR1BCL6BCORMAPT
SCHEMBL602526 0.84 MAPK1 (0.42) MAPK1NPSR1BCL6BCORMAPT
SCHEMBL601451 0.83 MAPK1 (0.41) MAPK1NPSR1BCL6BCORMAPT
SCHEMBL601450 0.83 MAPK1 (0.41) MAPK1NPSR1BCL6BCORMAPT

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 7 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
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
EP-1960389-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-08-27 EP 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 44/4885BCL6 1081/4885

“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.