SCHEMBL5064579

SCHEMBL5064579

O=C(NN1CCOCC1)c1ccc2c(c1)N=C(N1CCCCC1)c1ccccc1S2

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.64
CNR2 P34972 1/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HRH4 Q9H3N8 1/20 0.45
DRD2 P14416 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL5062812 0.96 CNR1 (0.66) CNR1CNR2KMT2AMEN1ALDH1A1
SCHEMBL5062721 0.93 CNR1 (0.72) CNR1CNR2KMT2AMEN1HRH4
SCHEMBL5058699 0.87 CNR1 (0.66) CNR1CNR2KMT2AMEN1HRH4
SCHEMBL5057264 0.84 CNR1 (0.60) CNR1CNR2KMT2AMEN1SMN1; SMN2
SCHEMBL14206008 0.84 CNR1 (0.67) CNR1CNR2KMT2AMEN1HRH4
SCHEMBL5064573 0.84 CNR1 (0.86) CNR1KMT2AMEN1SMN1; SMN2TP53
SCHEMBL13807799 0.83 CNR1 (0.66) CNR1CNR2KMT2AMEN1HRH4
SCHEMBL13807797 0.82 CNR1 (0.64) CNR1CNR2KMT2AMEN1HRH4
SCHEMBL8211876 0.82 CNR1 (0.56) CNR1CNR2KMT2AMEN1HRH4
SCHEMBL14513433 0.81 CNR1 (0.60) CNR1CNR2KMT2AMEN1SMN1; 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 2/4885KMT2A 3357/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885KMT2A 3357/4885

“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.