SCHEMBL2429982

SCHEMBL2429982

OCc1cc(Cl)cc2cn(C3CC3)nc12

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.34
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
TLR7 Q9NYK1 4/20 0.32
TLR9 Q9NR96 3/20 0.32
TLR4 O00206 2/20 0.32
NOTUM Q6P988 1/20 0.32
PDE4D Q08499 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
SCHEMBL2428960 0.77 GRM2 (0.38) TLR8DRD2DRD4DRD3TLR7
SCHEMBL13961185 0.77 TLR8 (0.36) TLR8DRD2DRD4DRD3TLR7
SCHEMBL16049124 0.75 ADCY10 (0.33) NOTUM
SCHEMBL2428877 0.74 TLR8 (0.35) TLR8TLR7TLR9TLR4PDE4D
SCHEMBL2424049 0.73 TLR8 (0.37) TLR8TLR7TLR9TLR4PDE4D
SCHEMBL25341920 0.70 MAPT (0.39)
SCHEMBL3933743 0.68 TLR8 (0.33) TLR8DRD2DRD4DRD3TLR7
SCHEMBL12984693 0.63 MPO (0.40)
SCHEMBL25113905 0.61 TLR8 (0.40) TLR8TLR7TLR9TLR4PDE4D
SCHEMBL2671524 0.60 AADAT (0.36)

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 US disclosed
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 US disclosed
US-8026257-B2 Substituted heterocyclic ethers and their use in CNS disorders BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-27 US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
US-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders BRISTOL-MYERS SQUIBB COMPANY 2009-01-15 US disclosed
WO-2009009411-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO disclosed
WO-2009009411-A1 SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-01-15 WO 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-20090018132-A1 Substituted Heterocyclic Ethers and Their Use in CNS Disorders CNR1, CNR2, PMP22 TLR8 1826/4885DRD2 563/4885DRD4 793/4885

“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.