SCHEMBL15969382

SCHEMBL15969382

CC(O)COC1CCc2nc(-c3ccc(OCC4CC4)c(Cl)c3)oc2C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.40
GRM2 Q14416 8/20 0.38
ACACB O00763 3/20 0.33
S1PR1 P21453 2/20 0.32
MAP4K4 O95819 1/20 0.32
PRKCD Q05655 1/20 0.32
MINK1 Q8N4C8 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.32

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
SCHEMBL15968677 0.93 KMO (0.40) KMOGRM2ACACBS1PR1MAP4K4
SCHEMBL15968096 0.90 S1PR5 (0.38) GRM2ACACBS1PR1
SCHEMBL15968161 0.88 GRM2 (0.36) KMOGRM2ACACBTRPV1
SCHEMBL15968929 0.88 ACACB (0.49) ACACB
SCHEMBL15998327 0.87 KMO (0.40) KMOGRM2ACACBS1PR1
SCHEMBL15969123 0.82 S1PR5 (0.40) GRM2ACACBS1PR1
SCHEMBL15968836 0.82 KMO (0.46) KMOGRM2S1PR1CNR2CNR1
SCHEMBL15968237 0.81 GRM2 (0.36) KMOGRM2ACACBTRPV1
SCHEMBL15968530 0.81 ACACB (0.49) ACACB
SCHEMBL15968492 0.80 GRM2 (0.43) KMOGRM2S1PR1

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 KMO 2615/4885GRM2 2148/4885ACACB 1112/4885

“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.