SCHEMBL20021958

SCHEMBL20021958

O=C(O)c1cnc(OC2CCCC2)c(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.54
PDE4A P27815 2/20 0.44
PDE4B Q07343 2/20 0.44
PDE4C Q08493 2/20 0.44
PDE4D Q08499 2/20 0.44
FFAR4 Q5NUL3 5/20 0.44
MGAM O43451 1/20 0.42
CNR2 P34972 1/20 0.42
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
LDHA P00338 1/20 0.40
BCL9 O00512 1/20 0.40
CTNNB1 P35222 1/20 0.40
DHODH Q02127 1/20 0.40

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
SCHEMBL20021961 0.89 CNR1 (0.54) CNR1PDE4APDE4BPDE4CPDE4D
SCHEMBL20021956 0.88 CNR1 (0.53) CNR1PDE4APDE4BPDE4CPDE4D
SCHEMBL411076 0.86 CNR1 (0.67) CNR1CNR2
SCHEMBL412179 0.82 BCL9 (0.54) CNR1FFAR4BCL9CTNNB1
SCHEMBL14762217 0.79 CNR1 (0.42) CNR1FFAR4CNR2
SCHEMBL410541 0.79 CNR1 (0.52) CNR1FFAR4CNR2
SCHEMBL412339 0.79 CNR1 (0.52) CNR1FFAR4CNR2BCL9CTNNB1
SCHEMBL14089846 0.78 IP6K1 (0.49) CNR1CNR2
SCHEMBL4946467 0.77 IP6K1 (0.48) CNR1CNR2
SCHEMBL20021945 0.77 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DBCL9

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180092866-A1 SUBSTITUTED N-([1,1'-BIPHENYL]-3-YL)-[1,1'-BIPHENYL]-3-CARBOXAMIDE ANALOGS AS INHIBITORS FOR BETA-CATENIN/B-CELL LYMPHOMA 9 INTERACTIONS THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY 2018-04-05 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-20180092866-A1 SUBSTITUTED N-([1,1'-BIPHENYL]-3-YL)-[1,1'-BIPHENYL]-3-CARBOXAMIDE ANALOGS AS INHIBITORS FOR BETA-CATENIN/B-CELL LYMPHOMA 9 INTERACTIONS BCL9, BCL9L, BCL3 CNR1 1005/4885PDE4A 4232/4885PDE4B 3680/4885

“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.