SCHEMBL4422359

SCHEMBL4422359

FC1CN(c2cc(N3CCCCCC3)nc(C3CC3)n2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 14/20 1.00
PDE4A P27815 12/20 1.00
PDE4B Q07343 12/20 1.00
PDE4C Q08493 12/20 1.00
PDE4D Q08499 12/20 1.00
HRH4 Q9H3N8 1/20 0.47
MAP3K12 Q12852 4/20 0.46

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
Fumaric Acid SCHEMBL4417858 0.88 CHRM3 (0.78) CHRM3PDE4APDE4BPDE4CPDE4D
Fumaric Acid SCHEMBL4417866 0.88 CHRM3 (0.78) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4424309 0.87 CHRM3 (1.00) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4422598 0.84 CHRM3 (1.00) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4420936 0.79 CHRM3 (0.66) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4419097 0.74 CHRM3 (1.00) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4425038 0.74 CHRM3 (1.00) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4425046 0.72 CHRM3 (0.72) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL14246929 0.69 CHRM3 (0.62) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4417861 0.69 CHRM3 (0.51) CHRM3PDE4APDE4BPDE4CPDE4D

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 7 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-7544675-B2 Chemical compounds with dual activity, processes for their preparation and pharmaceutical compositions UCB, S.A. (BE) 2009-06-09 US disclosed
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
EP-1499598-A1 CHEMICAL COMPOUNDS WITH DUAL ACTIVITY, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS UCB, S.A. (BE) 2005-01-26 EP disclosed
WO-2003087064-A1 CHEMICAL COMPOUNDS WITH DUAL ACTIVITY, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS UCB, S.A. (BE) 2003-10-23 WO disclosed
WO-2003087064-A1 CHEMICAL COMPOUNDS WITH DUAL ACTIVITY, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS UCB, S.A. (BE) 2003-10-23 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 (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.