SCHEMBL5064778

SCHEMBL5064778

O=C(NCCc1ccncc1)c1ccc2c(c1)N=C(c1cccc(F)c1)c1ccccc1S2

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.57
CNR2 P34972 2/20 0.57
TP53 P04637 6/20 0.53
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.49
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL5054126 0.91 CNR1 (0.66) CNR1CNR2TP53MAPTSMN1; SMN2
SCHEMBL5057403 0.91 CNR1 (0.66) CNR1CNR2TP53MAPTSMN1; SMN2
SCHEMBL5064663 0.91 CNR1 (0.57) CNR1CNR2TP53MAPTSMN1; SMN2
SCHEMBL14205929 0.88 CNR1 (0.58) CNR1CNR2TP53MAPTSMN1; SMN2
SCHEMBL13808136 0.87 CNR1 (0.69) CNR1CNR2TP53MAPTSMN1; SMN2
SCHEMBL5058713 0.86 CNR1 (0.74) CNR1CNR2TP53MAPTSMN1; SMN2
SCHEMBL5057399 0.86 CNR1 (0.73) CNR1CNR2TP53MAPTSMN1; SMN2
SCHEMBL5057608 0.85 CNR1 (0.66) CNR1CNR2TP53MAPTSMN1; SMN2
SCHEMBL5054088 0.85 CNR1 (0.59) CNR1CNR2TP53MAPTSMN1; SMN2
SCHEMBL13808165 0.85 CNR1 (0.77) 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 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 1/4885CNR2 2/4885TP53 4870/4885
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.