SCHEMBL5576074

SCHEMBL5576074

O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)N=C(N1CCCCC1)c1cc(F)ccc1S2

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.83
CNR2 P34972 1/20 0.71
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 2/20 0.49
CACNA1G O43497 2/20 0.45
ROCK2 O75116 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL5064587 0.91 CNR1 (1.00) CNR1CNR2SMN1; SMN2TP53CACNA1G
SCHEMBL5576172 0.86 CNR1 (0.74) CNR1CNR2SMN1; SMN2TP53ROCK2
SCHEMBL5058633 0.84 CNR1 (0.75) CNR1CNR2SMN1; SMN2TP53POLB
SCHEMBL5576876 0.84 CNR1 (0.64) CNR1CNR2TP53ROCK2POLB
SCHEMBL5054261 0.84 CNR1 (0.83) CNR1CNR2SMN1; SMN2TP53ROCK2
SCHEMBL14206226 0.83 CNR1 (1.00) CNR1CNR2SMN1; SMN2TP53POLB
SCHEMBL5064846 0.83 CNR1 (0.84) CNR1CNR2SMN1; SMN2TP53CACNA1G
SCHEMBL5576475 0.82 CNR1 (0.79) CNR1CNR2SMN1; SMN2TP53POLB
SCHEMBL5057259 0.82 CNR1 (0.83) CNR1CNR2SMN1; SMN2TP53POLB
SCHEMBL13808178 0.81 CNR1 (0.84) CNR1CNR2TP53POLBMAPT

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 8 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
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 2/4885SMN1; SMN2 2143/4885
US-20080090805-A1 CB-1 MODULATING COMPOUNDS AND THEIR USE CNR1, CNR2, FAAH CNR1 1/4885CNR2 2/4885SMN1; 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.