SCHEMBL21398079

SCHEMBL21398079

CCCCCCCC(C)(CCCC)c1ncc(CC)c(C)n1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
CNR2 P34972 1/20 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
SCHEMBL21398075 0.83 CNR2 (0.32) CNR2
SCHEMBL23866687 0.81 CNR2 (0.31) CNR2
SCHEMBL18523068 0.78 CNR2 (0.37) CNR2
SCHEMBL21398078 0.76 NOS3 (0.37)
SCHEMBL22930722 0.74 MAPT (0.33) LTB4RLTB4R2CNR2
SCHEMBL21397906 0.74 MAPT (0.33) LTB4RLTB4R2CNR2
SCHEMBL23583995 0.73 NPC1 (0.38) CNR2
SCHEMBL21166112 0.73 TLR8 (0.34) CNR2
SCHEMBL20852676 0.73 CNR2 (0.34) CNR2
SCHEMBL18612670 0.73 CNR2 (0.34) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906894-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of g protein-coupled receptor 119 PRAMANA PHARMACEUTICALS INC. (CA) 2021-02-02 US disclosed
US-20190292173-A1 COMPOUNDS CONTAINING BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119 PRAMANA PHARMACEUTICALS INC. (CA) 2019-09-26 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 (2 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-20190292173-A1 COMPOUNDS CONTAINING BENZO[D][1,3]OXATHIOLE, BENZO[D][1,3]OXATHIOLE 3-OXIDE OR BENZO[D][1,3]OXATHIOLE 3,3-DIOXIDE AND METHODS/USES THEREOF AS AGONISTS OF G PROTEIN-COUPLED RECEPTOR 119 GPR119, GPR3, GPR39 LTB4R 142/4885LTB4R2 81/4885CNR2 40/4885
US-10906894-B2 Compounds containing benzo[d][1,3]oxathiole, benzo[d][1,3]oxathiole 3-oxide or benzo[d][1,3]oxathiole 3,3-dioxide and methods/uses thereof as agonists of g protein-coupled receptor 119 GPR119, GPR3, GPR39 LTB4R 142/4885LTB4R2 81/4885CNR2 40/4885

“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.