SCHEMBL6069941

SCHEMBL6069941

O=C(O)c1cccc(N(Cc2ccc[n+]([O-])c2)c2ccc(OC(F)F)c(OC(F)F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.46
PDE4B Q07343 4/20 0.42
PDE4C Q08493 4/20 0.42
PDE4D Q08499 4/20 0.42
MRGPRX4 Q96LA9 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 3/20 0.38

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
SCHEMBL3131270 0.83 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DMRGPRX4
SCHEMBL3128395 0.82 PPARA (0.50) PDE4APDE4BPDE4CPDE4DMRGPRX4
SCHEMBL1159028 0.80 GRM2 (0.44) PDE4APDE4BPDE4CPDE4DMRGPRX4
SCHEMBL3129460 0.80 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMRGPRX4
SCHEMBL3121009 0.79 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DMRGPRX4
SCHEMBL3123732 0.78 MRGPRX4 (0.44) PDE4APDE4BPDE4CPDE4DMRGPRX4
SCHEMBL6070137 0.78 PDE4B (0.42) PDE4APDE4BPDE4CPDE4DMRGPRX4
SCHEMBL3129590 0.77 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DMRGPRX4
SCHEMBL3133528 0.77 GRM2 (0.44) PDE4APDE4BPDE4CPDE4DMRGPRX4
SCHEMBL3117619 0.76 RXRA (0.41) PDE4APDE4BPDE4CPDE4DMRGPRX4

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-20060211865-A1 Use of pyridine N-oxide analogs at doses which do not induce emesis SCHUMACHER RICHARD A 2006-09-21 US claimed

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-20060211865-A1 Use of pyridine N-oxide analogs at doses which do not induce emesis PDE4A, PDE4B, PDE3B PDE4A 1/4885PDE4B 2/4885PDE4C 7/4885

“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.