SCHEMBL15968599

SCHEMBL15968599

O=C(O)c1ccc(OCC2CC2(F)F)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HCAR3 P49019 7/20 0.43
GABRA5 P31644 6/20 0.42
ACACB O00763 1/20 0.41
P4HA1 P13674 2/20 0.41
P4HTM Q9NXG6 2/20 0.41
MIF P14174 1/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 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
SCHEMBL15968105 0.79 PKM (0.49) L3MBTL1ACACB
SCHEMBL4372777 0.79 PKM (0.49) L3MBTL1ACACB
SCHEMBL795937 0.79 MAPT (0.61) MAPTL3MBTL1HCAR3GABRA5ACACB
SCHEMBL16292074 0.78 BACE1 (0.40) ACACB
SCHEMBL15918756 0.76 ACACB (0.37) GABRA5ACACB
SCHEMBL4681119 0.75 MAPT (0.56) MAPTL3MBTL1HCAR3
SCHEMBL23538184 0.75 MAPT (0.69) MAPTL3MBTL1HCAR3GABRA5P4HA1
SCHEMBL840841 0.74 MAPT (0.55) MAPTL3MBTL1HCAR3GABRA5P4HA1
SCHEMBL840900 0.73 XDH (0.54) MAPTL3MBTL1HCAR3GABRA5
SCHEMBL16935009 0.72 MAPT (0.42) MAPTL3MBTL1GABRA5ACACB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
EP-2772485-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-09-03 EP disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US 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-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 MAPT 3593/4885L3MBTL1 3528/4885HCAR3 2240/4885

“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.