SCHEMBL15968296

SCHEMBL15968296

CCOC(=O)c1ncc(OC[C@H]2CC2(F)F)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.42
UBE2N P61088 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TLR9 Q9NR96 1/20 0.39
GLP1R P43220 1/20 0.36
APP P05067 1/20 0.35
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL15969071 0.87 ACACB (0.44) ACACB
SCHEMBL15968412 0.84 ACACB (0.43) ACACB
SCHEMBL16213729 0.76 CHRNB2 (0.50) ACACB
SCHEMBL17160932 0.75 ALDH1A1 (0.47) UBE2NNPC1ALDH1A1TP53MAPT
SCHEMBL6489323 0.75 GABRA1 (0.49) UBE2NNPC1ALDH1A1TP53MAPT
SCHEMBL18394836 0.73 NPC1 (0.49) UBE2NNPC1ALDH1A1TP53MAPT
SCHEMBL15968378 0.73 ACACB (0.46) ACACB
SCHEMBL17173720 0.72 MAPT (0.51) UBE2NNPC1ALDH1A1TP53MAPT
SCHEMBL6492223 0.72 MAPT (0.51) UBE2NNPC1ALDH1A1TP53MAPT
SCHEMBL15351663 0.71 CYP2C9 (0.51) NPC1ALDH1A1TP53MAPTXBP1

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 ACACB 1112/4885UBE2N 3093/4885NPC1 558/4885

“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.