SCHEMBL3077635

SCHEMBL3077635

N#Cc1c(N2CCN(C(=O)CCOc3ccc(F)cc3)CC2)cccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
POLB P06746 1/20 0.48
NPC1 O15118 4/20 0.47
GAA P10253 3/20 0.47
RAB9A P51151 3/20 0.47
HRH3 Q9Y5N1 2/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ENPP2 Q13822 4/20 0.43
KDM4E B2RXH2 1/20 0.43
AR P10275 2/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL3081859 0.92 NPC1 (0.53) MAPTPOLBNPC1GAARAB9A
SCHEMBL3083799 0.91 GAA (0.45) MAPTPOLBNPC1GAARAB9A
SCHEMBL3085630 0.88 NPC1 (0.55) MAPTPOLBNPC1GAARAB9A
SCHEMBL3090175 0.86 MAPT (0.50) MAPTPOLBNPC1GAARAB9A
SCHEMBL3084048 0.86 GAA (0.44) MAPTPOLBNPC1GAARAB9A
SCHEMBL3083665 0.85 MAPT (0.51) MAPTPOLBNPC1GAARAB9A
SCHEMBL3072135 0.84 MAPT (0.50) MAPTPOLBNPC1GAARAB9A
SCHEMBL3089389 0.83 MAPT (0.49) MAPTPOLBNPC1GAARAB9A
SCHEMBL30795222 0.83 MAPT (0.45) MAPTPOLBNPC1GAARAB9A
SCHEMBL3082423 0.83 MAPT (0.45) MAPTPOLBNPC1GAARAB9A

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 MAPT 1435/4885POLB 4651/4885NPC1 1352/4885

“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.