SCHEMBL5064751

SCHEMBL5064751

CC(C)COC(=O)c1ccc2c(c1)N=C(c1ccc(F)c(Cl)c1)c1c(cccc1C(N)=O)S2

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.49
CNR2 P34972 3/20 0.49
CASP1 P29466 1/20 0.35
SCN5A Q14524 4/20 0.33
SCN9A Q15858 4/20 0.33
PARP1 P09874 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
PTPRC P08575 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN1 P18031 1/20 0.33
PTPA Q15257 1/20 0.33
TP53 P04637 1/20 0.33
PLEC Q15149 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
SCHEMBL5057732 0.95 CNR1 (0.44) CNR1CNR2CASP1SCN5ASCN9A
SCHEMBL5064791 0.88 CNR1 (0.56) CNR1CNR2CASP1PARP1TSHR
SCHEMBL5058769 0.84 CNR1 (0.47) CNR1CNR2TP53
SCHEMBL5057364 0.83 CNR1 (0.51) CNR1CNR2TSHRTP53
SCHEMBL5064769 0.82 CNR1 (0.49) CNR1CNR2ALDH1A1TSHRTP53
SCHEMBL5064695 0.82 CNR1 (0.53) CNR1CNR2PARP1TSHRTP53
SCHEMBL5054098 0.79 CNR1 (0.45) CNR1CNR2ALDH1A1TSHRTP53
SCHEMBL5057665 0.77 CNR1 (0.51) CNR1CNR2ALDH1A1TP53PLEC
SCHEMBL5057572 0.76 CNR1 (0.37) CNR1CNR2ALDH1A1TP53
SCHEMBL5057771 0.73 CNR1 (0.46) CNR1CNR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 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-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885CASP1 2041/4885

“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.