SCHEMBL15969486

SCHEMBL15969486

CC(=O)N[C@@H](C)COc1ccc2nc(-c3ccc(O)c(F)c3)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.53
ESR2 Q92731 5/20 0.53
ACACA Q13085 3/20 0.48
ACACB O00763 3/20 0.44
MTNR1A P48039 6/20 0.43
MTNR1B P49286 6/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
APP P05067 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL15968246 0.90 ACACA (0.47) ACACAACACBMTNR1AMTNR1BMAPT
SCHEMBL15968050 0.90 MAPT (0.50) ACACAACACBMTNR1AMTNR1BMAPT
SCHEMBL15968555 0.88 ACACA (0.46) ACACAACACBMAPT
SCHEMBL15968697 0.88 ACACA (0.46) ACACAACACBMTNR1AMTNR1BMAPT
SCHEMBL15968810 0.87 ACACA (0.46) ESR1ESR2ACACAACACBMTNR1A
SCHEMBL15969007 0.86 ESR1 (0.47) ESR1ESR2ACACAACACB
SCHEMBL15968748 0.86 ACACA (0.46) ACACAACACBMTNR1AMTNR1BMAPT
SCHEMBL15968897 0.86 ACACB (0.46) ACACAACACBMTNR1AMTNR1BMAPT
SCHEMBL15968470 0.85 ACACB (0.45) ACACAACACBMTNR1AMTNR1BMAPT
SCHEMBL15969343 0.84 ACACA (0.58) ACACAACACB

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 2876/4885ACACA 670/4885

“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.