SCHEMBL5064676

SCHEMBL5064676

O=C(NC1CCC(F)(F)CC1)c1ccc2c(c1)N=C(c1ccc(Cl)s1)c1ccccc1S2

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.65
TP53 P04637 5/20 0.50
LMNA P02545 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.48
CNR2 P34972 3/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL14206269 0.91 CNR1 (0.66) CNR1TP53LMNAPOLBHPGD
SCHEMBL5057287 0.87 CNR1 (0.62) CNR1TP53LMNAPOLBHPGD
SCHEMBL5054268 0.86 TP53 (0.55) CNR1TP53LMNAPOLBHPGD
SCHEMBL5057728 0.85 CNR1 (0.64) CNR1TP53LMNAPOLBHPGD
SCHEMBL5058756 0.85 LMNA (0.54) CNR1TP53LMNAPOLBHPGD
SCHEMBL5064860 0.84 CNR1 (0.57) CNR1TP53LMNAPOLBHPGD
SCHEMBL13808150 0.83 CNR1 (0.63) CNR1TP53LMNAPOLBHPGD
SCHEMBL5057712 0.83 TP53 (0.50) CNR1TP53LMNAPOLBHPGD
SCHEMBL5064623 0.83 CNR1 (0.51) CNR1TP53LMNAPOLBHPGD
SCHEMBL5058685 0.81 TP53 (0.51) CNR1TP53LMNAPOLBHPGD

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 5 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

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 1/4885TP53 4870/4885LMNA 3921/4885

“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.