SCHEMBL15968808

SCHEMBL15968808

Oc1ccc2nc(-c3ccc(OCC4CC4)c(F)c3)oc2c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.60
ESR2 Q92731 11/20 0.60
APP P05067 5/20 0.46
GPR119 Q8TDV5 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
ACACA Q13085 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
SCHEMBL15968728 0.87 ESR1 (0.60) ESR1ESR2APPNPC1RAB9A
SCHEMBL15968352 0.87 ESR1 (0.56) ESR1ESR2APPNPC1RAB9A
SCHEMBL15968188 0.85 ESR1 (0.40) ESR1ESR2TLR9TLR8TLR7
SCHEMBL15968947 0.82 ESR2 (0.45) ESR1ESR2TLR9TLR8TLR7
SCHEMBL15968407 0.81 ESR1 (0.61) ESR1ESR2APPNPC1RAB9A
SCHEMBL15969553 0.77 ACACA (0.47) GPR119TLR9TLR8TLR7ACACA
SCHEMBL15968649 0.77 ACACA (0.51) GPR119TLR7ACACA
SCHEMBL15969343 0.77 ACACA (0.58) ACACA
SCHEMBL14908394 0.77 ACACA (0.54) GPR119ACACA
SCHEMBL15968371 0.77 ACACB (0.52) GPR119ACACA

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 2876/4885APP 3591/4885

“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.