SCHEMBL15968246

SCHEMBL15968246

CC(=O)N[C@@H](C)COc1ccc2nc(-c3cc(F)c(O)c(F)c3)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACACA Q13085 4/20 0.47
MTNR1A P48039 6/20 0.44
MTNR1B P49286 6/20 0.44
ACACB O00763 8/20 0.43
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
APP P05067 1/20 0.41
TLR7 Q9NYK1 2/20 0.40

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
SCHEMBL15969486 0.90 ESR1 (0.53) ACACAMTNR1AMTNR1BACACBMAPT
SCHEMBL15968748 0.90 ACACA (0.46) ACACAMTNR1AMTNR1BACACBMAPT
SCHEMBL15968050 0.88 MAPT (0.50) ACACAMTNR1AMTNR1BACACBMAPT
SCHEMBL15968358 0.87 ACACB (0.46) ACACAMTNR1AMTNR1BACACBMAPT
SCHEMBL15968690 0.86 ACACA (0.43) ACACAMTNR1AMTNR1BACACBMAPT
SCHEMBL15968555 0.86 ACACA (0.46) ACACAACACBMAPT
SCHEMBL15968697 0.86 ACACA (0.46) ACACAMTNR1AMTNR1BACACBMAPT
SCHEMBL15968486 0.86 ACACA (0.43) ACACAMTNR1AMTNR1BACACBMAPT
SCHEMBL14908412 0.86 ACACA (0.45) ACACAMTNR1AMTNR1BACACBMAPT
SCHEMBL15968313 0.86 ACACA (0.43) ACACAMTNR1AMTNR1BACACBMAPT

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 ACACA 670/4885MTNR1A 3038/4885MTNR1B 1745/4885

“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.