SCHEMBL5064839

SCHEMBL5064839

O=C(O)c1ccc2c(c1)N=C(C1CCCCC1)c1ccccc1S2

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.72
PLEC Q15149 1/20 0.59
ALDH1A1 P00352 1/20 0.49
RECQL P46063 1/20 0.47
SIRT5 Q9NXA8 1/20 0.47
TP53 P04637 7/20 0.46
LMNA P02545 3/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KMO O15229 1/20 0.42

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
SCHEMBL5064756 0.86 CNR1 (0.56) CNR1PLECALDH1A1RECQLSIRT5
SCHEMBL5058777 0.86 CNR1 (0.75) CNR1ALDH1A1TP53LMNAPOLB
SCHEMBL14542214 0.86 CNR1 (0.75) CNR1PLECTP53LMNAPOLB
SCHEMBL5062757 0.85 CNR1 (0.70) CNR1ALDH1A1TP53LMNAPOLB
SCHEMBL5063067 0.84 CNR1 (1.00) CNR1TP53LMNAPOLBSMN1; SMN2
SCHEMBL5062778 0.83 CNR1 (0.63) CNR1PLECTP53LMNAPOLB
SCHEMBL14043585 0.83 CNR1 (0.60) CNR1PLECALDH1A1TP53LMNA
SCHEMBL5054008 0.83 CNR1 (0.68) CNR1PLECTP53LMNAPOLB
SCHEMBL14043568 0.83 CNR1 (0.68) CNR1PLECALDH1A1TP53LMNA
SCHEMBL5057210 0.81 TP53 (0.68) CNR1ALDH1A1TP53LMNAPOLB

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-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2008-04-17 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 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-20070105819-A1 CB-1 modulating compounds and their use CNR1, CNR2, FAAH CNR1 1/4885PLEC 2850/4885ALDH1A1 888/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885PLEC 2850/4885ALDH1A1 888/4885

“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.