SCHEMBL5058774

SCHEMBL5058774

CC(C)CNC(=O)c1ccc2c(c1)N=C(c1ccccn1)c1ccccc1S2

nearest known ligand 0.83

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.83
TP53 P04637 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
CNR2 P34972 2/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
PKM P14618 1/20 0.47

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
SCHEMBL5054043 0.91 CNR1 (1.00) CNR1TP53SMN1; SMN2CNR2KDM4E
SCHEMBL14206225 0.88 CNR1 (0.82) CNR1TP53SMN1; SMN2CNR2KDM4E
SCHEMBL13807979 0.87 CNR1 (0.75) CNR1TP53SMN1; SMN2CNR2KDM4E
SCHEMBL14206196 0.87 CNR1 (0.75) CNR1TP53SMN1; SMN2CNR2KDM4E
SCHEMBL14206002 0.87 CNR1 (0.64) CNR1TP53SMN1; SMN2CNR2KDM4E
SCHEMBL5058731 0.87 CNR1 (0.69) CNR1TP53SMN1; SMN2CNR2KDM4E
SCHEMBL14206060 0.86 CNR1 (0.65) CNR1TP53SMN1; SMN2CNR2KDM4E
SCHEMBL14206156 0.86 CNR1 (0.78) CNR1TP53SMN1; SMN2CNR2KDM4E
SCHEMBL5057314 0.86 CNR1 (0.78) CNR1TP53SMN1; SMN2CNR2KDM4E
SCHEMBL13808254 0.84 CNR1 (0.76) CNR1TP53SMN1; SMN2CNR2KDM4E

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 9 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-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
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 1/4885TP53 4870/4885SMN1; SMN2 2143/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885TP53 4870/4885SMN1; SMN2 2143/4885

“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.