SCHEMBL15969007

SCHEMBL15969007

CC(=O)N[C@@H](C)COc1cc2oc(-c3ccc(O)c(F)c3)nc2cn1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.47
ESR2 Q92731 4/20 0.47
ACACB O00763 14/20 0.46
ACACA Q13085 3/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL15968221 0.88 ACACB (0.44) ESR1ESR2ACACBACACA
SCHEMBL15968219 0.86 ACACB (0.45) ACACBACACA
SCHEMBL15969486 0.86 ESR1 (0.53) ESR1ESR2ACACBACACA
SCHEMBL15968791 0.85 ACACB (0.44) ACACBACACA
SCHEMBL15969008 0.85 ACACB (0.44) ACACBACACA
SCHEMBL15969365 0.85 ACACB (0.51) ACACBACACA
SCHEMBL15969320 0.85 ACACB (0.56) ACACBACACA
SCHEMBL14908405 0.84 ACACB (0.44) ACACBACACA
SCHEMBL15969362 0.84 ACACB (0.47) ACACBACACA
SCHEMBL15969310 0.84 ACACB (0.45) ACACBACACA

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 ESR1 2402/4885ESR2 2876/4885ACACB 1112/4885

“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.