SCHEMBL15968375

SCHEMBL15968375

OC1CCc2nc(-c3ccc(OCC4CC4)c(F)c3)oc2C1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 3/20 0.38
TLR8 Q9NR97 3/20 0.38
TLR7 Q9NYK1 3/20 0.38
FFAR4 Q5NUL3 4/20 0.38
S1PR5 Q9H228 4/20 0.38
S1PR1 P21453 4/20 0.38
S1PR3 Q99500 2/20 0.38
PPARD Q03181 3/20 0.35
FFAR1 O14842 2/20 0.35
GRM2 Q14416 2/20 0.34
PPARA Q07869 1/20 0.34
KMO O15229 1/20 0.33
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33

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
SCHEMBL15969110 0.92 S1PR5 (0.40) TLR9TLR8TLR7FFAR4S1PR5
SCHEMBL15968836 0.88 KMO (0.46) FFAR4S1PR5S1PR1GRM2KMO
SCHEMBL15968096 0.82 S1PR5 (0.38) TLR9TLR8TLR7FFAR4S1PR5
SCHEMBL15968391 0.79 KMO (0.46) FFAR4S1PR5S1PR1GRM2KMO
SCHEMBL15968124 0.78 TLR9 (0.36) TLR9TLR8TLR7FFAR4S1PR5
SCHEMBL15968752 0.78 ACACB (0.48)
SCHEMBL15968721 0.78 FKBP1A (0.39) FFAR4S1PR5S1PR1S1PR3GRM2
SCHEMBL15968553 0.77 S1PR5 (0.35) TLR9TLR8TLR7FFAR4S1PR5
SCHEMBL15969123 0.77 S1PR5 (0.40) TLR9TLR8TLR7FFAR4S1PR5
SCHEMBL15969483 0.76 S1PR5 (0.38) TLR9TLR8TLR7FFAR4S1PR5

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 TLR9 3899/4885TLR8 2965/4885TLR7 2114/4885

“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.