SCHEMBL5057306

SCHEMBL5057306

O=C(NCCC(F)(F)F)c1ccc2c(c1)N=C(c1ccccn1)c1ccccc1S2

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.74
CNR2 P34972 2/20 0.54
TP53 P04637 5/20 0.54
NPSR1 Q6W5P4 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 2/20 0.46
PLA2G1B P04054 1/20 0.46
HTT P42858 1/20 0.46
PAX8 Q06710 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL5064667 0.95 CNR1 (0.72) CNR1CNR2TP53NPSR1SMN1; SMN2
SCHEMBL14206225 0.89 CNR1 (0.82) CNR1CNR2TP53NPSR1SMN1; SMN2
SCHEMBL13808272 0.86 CNR1 (0.59) CNR1CNR2TP53NPSR1SMN1; SMN2
SCHEMBL5057314 0.86 CNR1 (0.78) CNR1CNR2TP53NPSR1SMN1; SMN2
SCHEMBL14206156 0.86 CNR1 (0.78) CNR1CNR2TP53NPSR1SMN1; SMN2
SCHEMBL13807979 0.85 CNR1 (0.75) CNR1CNR2TP53NPSR1SMN1; SMN2
SCHEMBL5054043 0.85 CNR1 (1.00) CNR1CNR2TP53NPSR1SMN1; SMN2
SCHEMBL5057325 0.84 CNR1 (0.73) CNR1CNR2TP53NPSR1SMN1; SMN2
SCHEMBL13807963 0.84 CNR1 (0.56) CNR1CNR2TP53NPSR1SMN1; SMN2
SCHEMBL14043614 0.84 CNR1 (0.63) CNR1CNR2TP53NPSR1SMN1; SMN2

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-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
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 2/4885TP53 4870/4885

“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.