SCHEMBL3095985

SCHEMBL3095985

N#Cc1c(N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)cccc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
GFER P55789 1/20 0.45
ENPP2 Q13822 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
HSD11B1 P28845 1/20 0.43
RBP4 P02753 2/20 0.42
AKR1C3 P42330 1/20 0.42
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
TTR P02766 1/20 0.41
HTR1A P08908 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 0.84 NPC1 (0.53) MAPTNPC1RAB9AGFERENPP2
SCHEMBL3077635 0.78 MAPT (0.48) MAPTNPC1RAB9AENPP2KMT2A
SCHEMBL3083799 0.77 GAA (0.45) MAPTNPC1RAB9AGFERENPP2
SCHEMBL3084048 0.76 GAA (0.44) MAPTNPC1RAB9AGFERENPP2
SCHEMBL4686245 0.75 HTR1A (0.59) HTR1A
SCHEMBL3070168 0.75 HTR1A (0.69) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL5798527 0.73 NOTUM (0.59) DPP4DPP8DPP9DPP7
SCHEMBL13622678 0.73 KHK (0.48) DPP4DPP8DPP9DPP7TTR
SCHEMBL3083321 0.71 MAPT (0.71) MAPTNPC1RAB9AKMT2AMEN1
SCHEMBL16792970 0.71 KDM4E (0.58) KMT2AMEN1LMNADPP4DPP8

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 6 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
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

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 1435/4885NPC1 1352/4885RAB9A 503/4885

“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.