SCHEMBL15969112

SCHEMBL15969112

CCOc1c(F)cc(-c2nc3ccc(OC[C@H](C)NC(C)=O)cc3o2)cc1OC

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
ACACA Q13085 2/20 0.43
ACACB O00763 13/20 0.43
APP P05067 1/20 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
SCHEMBL15968748 0.94 ACACA (0.46) MAPTMTNR1AMTNR1BACACAACACB
SCHEMBL15968313 0.90 ACACA (0.43) MAPTMTNR1AMTNR1BACACAACACB
SCHEMBL15968486 0.90 ACACA (0.43) MAPTMTNR1AMTNR1BACACAACACB
SCHEMBL14908412 0.90 ACACA (0.45) MAPTMTNR1AMTNR1BACACAACACB
SCHEMBL15969836 0.90 ACACA (0.43) MAPTMTNR1AMTNR1BACACAACACB
SCHEMBL15968715 0.90 ACACA (0.54) ACACAACACB
SCHEMBL15968050 0.89 MAPT (0.50) MAPTMTNR1AMTNR1BACACAACACB
SCHEMBL15968555 0.87 ACACA (0.46) MAPTACACAACACB
SCHEMBL15968246 0.86 ACACA (0.47) MAPTMTNR1AMTNR1BACACAACACB
SCHEMBL15969695 0.85 ACACB (0.44) MTNR1AMTNR1BACACAACACB

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 7 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
US-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
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
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US 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 3593/4885MTNR1A 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.