SCHEMBL13808014

SCHEMBL13808014

CON(C)C(=O)c1ccc2c(c1)N=C(c1ccc(Cl)c(Cl)c1)c1ccccc1S2

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.62
CNR2 P34972 2/20 0.53
PLEC Q15149 1/20 0.43
SLC6A3 Q01959 1/20 0.41
TP53 P04637 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37

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
SCHEMBL13808009 0.90 CNR1 (0.66) CNR1CNR2PLECTP53NPSR1
SCHEMBL13808012 0.89 CNR1 (0.63) CNR1CNR2PLECTP53NPSR1
SCHEMBL13808013 0.88 CNR1 (0.60) CNR1CNR2PLECTP53NPSR1
SCHEMBL13808010 0.86 CNR1 (0.55) CNR1CNR2PLECTP53NPSR1
SCHEMBL14513436 0.86 CNR1 (0.53) CNR1CNR2PLECTP53NPSR1
SCHEMBL14206283 0.85 CNR1 (0.52) CNR1CNR2PLECTP53SMN1; SMN2
SCHEMBL13808004 0.85 CNR1 (0.49) CNR1CNR2PLECTP53NPSR1
SCHEMBL4668629 0.84 PLEC (0.49) CNR1CNR2PLECTP53NPSR1
SCHEMBL13808246 0.83 CNR1 (0.71) CNR1CNR2PLECTP53NPSR1
SCHEMBL13807934 0.83 CNR1 (0.71) CNR1CNR2PLECTP53NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009075691-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2009-06-18 WO disclosed
WO-2008118141-A2 USE OF CANNABINOID MODULATING COMPOUNDS IN COMBINATION WITH OTHER THERAPEUTIC COMPOUNDS FOR ADJUNCTIVE THERAPY ACADIA PHARMACEUTICALS INC. (US) 2008-10-02 WO 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
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
US-20070105819-A1 CB-1 modulating compounds and their use ACADIA PHARMACEUTICALS, INC. 2007-05-10 US disclosed
WO-2007047737-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2007-04-26 WO 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 1/4885CNR2 2/4885PLEC 2850/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885PLEC 2850/4885

“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.