SCHEMBL5057258

SCHEMBL5057258

COc1ccc(C2=Nc3cc(C(=O)NCC(C)C)ccc3Sc3ccccc32)cc1

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.71
CNR2 P34972 2/20 0.54
TP53 P04637 7/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
NPSR1 Q6W5P4 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL5062725 0.91 CNR1 (0.69) CNR1CNR2TP53SMN1; SMN2NPSR1
SCHEMBL13808249 0.89 CNR1 (0.74) CNR1CNR2TP53SMN1; SMN2NPSR1
SCHEMBL5057628 0.89 CNR1 (0.72) CNR1CNR2TP53SMN1; SMN2NPSR1
SCHEMBL13808250 0.89 CNR1 (0.83) CNR1CNR2TP53SMN1; SMN2ALDH1A1
SCHEMBL5054211 0.89 CNR1 (0.74) CNR1CNR2TP53SMN1; SMN2NPSR1
SCHEMBL14206039 0.89 CNR1 (0.56) CNR1CNR2TP53SMN1; SMN2NPSR1
SCHEMBL13808253 0.87 CNR1 (0.68) CNR1CNR2TP53SMN1; SMN2NPSR1
SCHEMBL5057267 0.86 CNR1 (0.80) CNR1CNR2TP53SMN1; SMN2NPSR1
SCHEMBL13808020 0.85 CNR1 (0.57) CNR1CNR2TP53SMN1; SMN2NPSR1
SCHEMBL13808033 0.85 KMT2A (0.61) CNR1CNR2TP53NPSR1ALDH1A1

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.