SCHEMBL4421995

SCHEMBL4421995

Cc1c(N2CC(OS(C)(=O)=O)C2)cc(C2CC2)nc1N1CCCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 16/20 0.46
PDE4A P27815 14/20 0.46
PDE4B Q07343 14/20 0.46
PDE4C Q08493 14/20 0.46
PDE4D Q08499 14/20 0.46
PDE10A Q9Y233 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL4420069 0.80 CHRM3 (0.70) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4423241 0.60 CHRM3 (1.00) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4422714 0.60 CHRM3 (1.00) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL20302733 0.59 HCRTR2 (0.41) CHRM4
SCHEMBL11461060 0.58 CA1 (0.36) CHRM3KDM4EMEN1ALDH1A1GAA
SCHEMBL11470571 0.58 CA1 (0.36) CHRM3KDM4EMEN1ALDH1A1GAA
SCHEMBL24174872 0.58 GLS (0.41)
SCHEMBL4420662 0.58 CHRM3 (1.00) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4431276 0.58 CHRM3 (1.00) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL973195 0.57 HRH3 (0.41) L3MBTL1KDM4EALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544675-B2 Chemical compounds with dual activity, processes for their preparation and pharmaceutical compositions UCB, S.A. (BE) 2009-06-09 US disclosed
US-20060074068-A1 Chemical compounds with dual activity, processes for their preparation and pharmaceutical compositions UCB, S.A. (BE) 2006-04-06 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-20060074068-A1 Chemical compounds with dual activity, processes for their preparation and pharmaceutical compositions PDE7A, CHRM3, PDE4B CHRM3 2/4885PDE4A 5/4885PDE4B 3/4885

“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.