SCHEMBL3093363

SCHEMBL3093363

N#Cc1cc(F)ccc1N1CCN(C(=O)CCOc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
POLB P06746 1/20 0.58
NPC1 O15118 7/20 0.55
GAA P10253 3/20 0.55
KDM4E B2RXH2 2/20 0.55
RAB9A P51151 6/20 0.52
SMN1; SMN2 Q16637 5/20 0.52
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
KMT2A Q03164 2/20 0.50
GRM5 P41594 2/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.46
HRH3 Q9Y5N1 2/20 0.46
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL3081869 0.94 MAPT (0.52) MAPTPOLBNPC1GAAKDM4E
SCHEMBL3091995 0.87 MAPT (0.57) MAPTPOLBNPC1GAAKDM4E
SCHEMBL3085560 0.87 NPC1 (0.61) MAPTPOLBNPC1GAAKDM4E
SCHEMBL3077259 0.85 MAPT (0.48) MAPTPOLBNPC1GAARAB9A
SCHEMBL3077623 0.84 MAPT (0.47) MAPTPOLBNPC1GAARAB9A
SCHEMBL3085630 0.78 NPC1 (0.55) MAPTPOLBNPC1GAAKDM4E
SCHEMBL3090175 0.76 MAPT (0.50) MAPTPOLBNPC1GAAKDM4E
SCHEMBL3093276 0.76 MAPT (0.47) MAPTPOLBNPC1GAAKDM4E
SCHEMBL3081859 0.76 NPC1 (0.53) MAPTPOLBNPC1GAAKDM4E
SCHEMBL3089864 0.76 MAPT (0.47) MAPTPOLBNPC1GAAKDM4E

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 8 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

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.