SCHEMBL15968689

SCHEMBL15968689

CC(COC1CCc2oc(-c3ccc(OCC4CC4)c(F)c3)nc2C1)N=[N+]=[N-]

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 3/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
TLR9 Q9NR96 2/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
GPR119 Q8TDV5 1/20 0.33
ACACB O00763 1/20 0.31
GRM2 Q14416 1/20 0.30
FFAR4 Q5NUL3 2/20 0.30

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
SCHEMBL15968553 0.94 S1PR5 (0.35) S1PR5S1PR1S1PR3TLR9TLR8
SCHEMBL15968237 0.91 GRM2 (0.36) ACACBGRM2
SCHEMBL15969123 0.88 S1PR5 (0.40) S1PR5S1PR1S1PR3TLR9TLR8
SCHEMBL15968161 0.85 GRM2 (0.36) ACACBGRM2
SCHEMBL15968153 0.83 ACACB (0.47) ACACB
SCHEMBL15968096 0.81 S1PR5 (0.38) S1PR5S1PR1S1PR3TLR9TLR8
SCHEMBL15968677 0.79 KMO (0.40) S1PR5S1PR1ACACBGRM2
SCHEMBL15969110 0.77 S1PR5 (0.40) S1PR5S1PR1S1PR3TLR9TLR8
SCHEMBL15968752 0.76 ACACB (0.48) ACACB
SCHEMBL15968769 0.75 CCNT1 (0.41) S1PR5S1PR1S1PR3GRM2FFAR4

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 S1PR5 1924/4885S1PR1 2272/4885S1PR3 2502/4885

“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.