SCHEMBL3083799

SCHEMBL3083799

N#Cc1c(N2CCN(C(=O)CCOc3cccc(F)c3)CC2)cccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.45
ALDH1A1 P00352 3/20 0.45
ENPP2 Q13822 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 3/20 0.43
AR P10275 1/20 0.43
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 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
SCHEMBL3077635 0.91 MAPT (0.48) GAAALDH1A1ENPP2NPC1RAB9A
SCHEMBL3081859 0.91 NPC1 (0.53) GAAALDH1A1ENPP2NPC1RAB9A
SCHEMBL3084048 0.90 GAA (0.44) GAAALDH1A1ENPP2NPC1RAB9A
SCHEMBL3644945 0.80 AR (0.40) ALDH1A1ARMAPTTSHRKMT2A
SCHEMBL3085630 0.79 NPC1 (0.55) GAAALDH1A1NPC1RAB9AMAPT
SCHEMBL3080735 0.77 DRD2 (0.52) GAAALDH1A1ENPP2NPC1RAB9A
SCHEMBL3090175 0.77 MAPT (0.50) GAAALDH1A1ENPP2NPC1RAB9A
SCHEMBL3095985 0.77 MAPT (0.53) ENPP2NPC1RAB9AMAPTTSHR
SCHEMBL3083665 0.76 MAPT (0.51) GAAALDH1A1ENPP2NPC1RAB9A
SCHEMBL3093363 0.75 MAPT (0.58) GAAALDH1A1NPC1RAB9AMAPT

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-20100227870-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-09-09 US claimed
EP-2164837-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2010-03-24 EP claimed
WO-2008152089-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-12-18 WO claimed
US-20100227870-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-09-09 US disclosed
US-20100227870-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-09-09 US disclosed
US-20100227870-A1 Novel Compounds GLAXO GROUP LIMITED (GB) 2010-09-09 US disclosed
EP-2164837-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2010-03-24 EP disclosed
WO-2008152089-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-12-18 WO disclosed
WO-2008152089-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-12-18 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-20100227870-A1 Novel Compounds GRM5, GRIK5, GRM1 GAA 2917/4885ALDH1A1 3874/4885ENPP2 822/4885

“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.