SCHEMBL3072135

SCHEMBL3072135

O=C(CCOc1ccc(F)cc1)N1CCN(c2cccc(C(F)(F)F)c2CO)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
POLB P06746 1/20 0.50
GAA P10253 4/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
ENPP2 Q13822 5/20 0.46
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 5/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 2/20 0.45
MAPK1 P28482 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL3083665 0.87 MAPT (0.51) MAPTPOLBGAANPC1RAB9A
SCHEMBL3089389 0.85 MAPT (0.49) MAPTPOLBGAANPC1RAB9A
SCHEMBL3077635 0.84 MAPT (0.48) MAPTPOLBGAANPC1RAB9A
SCHEMBL3084383 0.83 MAPT (0.47) MAPTPOLBGAANPC1RAB9A
SCHEMBL3084380 0.83 MAPT (0.47) MAPTPOLBGAANPC1RAB9A
SCHEMBL13144602 0.83 MAPT (0.47) MAPTPOLBGAANPC1RAB9A
SCHEMBL8115610 0.81 MAPT (0.45) MAPTPOLBGAANPC1RAB9A
SCHEMBL3072144 0.81 MAPT (0.45) MAPTPOLBGAANPC1RAB9A
SCHEMBL13144611 0.81 MAPT (0.45) MAPTPOLBGAANPC1RAB9A
SCHEMBL30795599 0.81 MAPT (0.45) MAPTPOLBGAANPC1RAB9A

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 10 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
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO 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
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 4651/4885GAA 2917/4885

“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.