SCHEMBL3392008

SCHEMBL3392008

O=[N+]([O-])c1c(F)cc(C2CC2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TSHR P16473 2/20 0.33
HIF1A Q16665 1/20 0.33
GRIN2D O15399 3/20 0.33
GRIN3B O60391 3/20 0.33
GRIN1 Q05586 3/20 0.33
GRIN2A Q12879 3/20 0.33
GRIN2B Q13224 3/20 0.33
GRIN2C Q14957 3/20 0.33
GRIN3A Q8TCU5 3/20 0.33
MAPT P10636 4/20 0.32
MAPK1 P28482 1/20 0.32
VCAM1 P19320 1/20 0.32
CYP3A4 P08684 1/20 0.31
HSP90AA1 P07900 1/20 0.30
PIN1 Q13526 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL10929436 0.84 CYP2C9 (0.43) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10929444 0.84 CYP2C9 (0.43) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31567763 0.84 MAPT (0.38) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5886535 0.83 CYP2C9 (0.42) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL5886540 0.83 CYP2C9 (0.42) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10894584 0.82 CYP2C9 (0.35) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL10894589 0.82 CYP2C9 (0.35) ALDH1A1TSHRGRIN2DGRIN3BGRIN1
SCHEMBL10892210 0.81 MEN1 (0.37) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL10895750 0.81 CYP2C9 (0.40) ALDH1A1MAPTMAPK1LMNAMEN1
SCHEMBL10895765 0.81 CYP2C9 (0.40) ALDH1A1MAPTMAPK1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481566-B2 4-Fluoro-6-methyl-1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one; for treatment of psychotic disorders and cognitive impairment GLAXO GROUP LIMITED (GB) 2013-07-09 US disclosed
US-8481566-B2 4-Fluoro-6-methyl-1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one; for treatment of psychotic disorders and cognitive impairment GLAXO GROUP LIMITED (GB) 2013-07-09 US disclosed
US-8481566-B2 4-Fluoro-6-methyl-1-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]-1,3-dihydro-2H-benzimidazol-2-one; for treatment of psychotic disorders and cognitive impairment GLAXO GROUP LIMITED (GB) 2013-07-09 US disclosed
US-8283364-B2 Psyvhological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-09 US disclosed
US-8283364-B2 Psyvhological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-09 US disclosed
US-8283364-B2 Psyvhological disorders; cognition activators GLAXO GROUP LIMITED (GB) 2012-10-09 US disclosed
EP-1943230-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2010-12-22 EP disclosed
EP-1943230-B1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LTD (GB) 2010-12-22 EP disclosed
US-20080255195-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
US-20080255195-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
US-20080255195-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2008-10-16 US disclosed
EP-1943230-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2008-07-16 EP disclosed
US-20080058378-A1 Compounds which have activity at M1 receptor and their uses in medicine. GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
US-20080058378-A1 Compounds which have activity at M1 receptor and their uses in medicine. GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
US-20080058378-A1 Compounds which have activity at M1 receptor and their uses in medicine. GLAXO GROUP LIMITED (GB) 2008-03-06 US disclosed
WO-2007036715-A2 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2007-04-05 WO disclosed
WO-2007036715-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 (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-20080255195-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine CHRM1, CHRM2, CHRM5 ATM 2225/4885TDP1 2576/4885ALDH1A1 1459/4885
US-20080058378-A1 Compounds which have activity at M1 receptor and their uses in medicine. CHRM1, CHRM2, CHRM5 ATM 2013/4885TDP1 2127/4885ALDH1A1 1591/4885

“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.