SCHEMBL5058696

SCHEMBL5058696

O=C(NCCC(F)(F)F)c1ccc2c(c1)N=C(c1ccc(Cl)cc1F)c1ccccc1S2

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.60
CNR2 P34972 3/20 0.60
TP53 P04637 4/20 0.52
MAPT P10636 2/20 0.51
NPSR1 Q6W5P4 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 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
SCHEMBL5057365 0.95 CNR1 (0.62) CNR1CNR2TP53MAPTNPSR1
SCHEMBL14043743 0.90 CNR1 (0.55) CNR1CNR2TP53MAPTNPSR1
SCHEMBL5057679 0.90 CNR1 (0.70) CNR1CNR2TP53MAPTNPSR1
SCHEMBL5058787 0.90 CNR1 (0.62) CNR1CNR2TP53MAPTNPSR1
SCHEMBL5062754 0.88 CNR1 (0.75) CNR1CNR2TP53MAPTNPSR1
SCHEMBL14205989 0.88 TP53 (0.62) CNR1CNR2TP53MAPTNPSR1
SCHEMBL5064606 0.87 CNR1 (0.72) CNR1CNR2TP53MAPTNPSR1
SCHEMBL5057265 0.86 CNR1 (0.57) CNR1CNR2TP53MAPTNPSR1
SCHEMBL14205920 0.85 CNR1 (0.57) CNR1CNR2TP53MAPTNPSR1
SCHEMBL5054141 0.85 CNR1 (0.75) CNR1CNR2TP53MAPTSMN1; 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.