SCHEMBL4423481

SCHEMBL4423481

Cc1c(NC2CCCCC2)nc(C2CC2)nc1NC1CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 18/20 1.00
PDE4B Q07343 18/20 1.00
PDE4C Q08493 18/20 1.00
PDE4D Q08499 18/20 1.00
CHRM3 P20309 17/20 1.00
PDE10A Q9Y233 1/20 0.73
CHRM2 P08172 1/20 0.66
CHRM4 P08173 1/20 0.66
CHRM5 P08912 1/20 0.66
CHRM1 P11229 1/20 0.66
OGG1 O15527 1/20 0.55

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
SCHEMBL4432265 0.81 PDE10A (0.88) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL4419130 0.81 PDE10A (0.94) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL4423137 0.81 PDE10A (0.88) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL4431395 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL4431348 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL460823 0.80 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL4426333 0.79 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL4419831 0.78 PDE10A (0.82) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL4431257 0.78 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCHRM3
SCHEMBL4429752 0.76 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DCHRM3

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 5 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
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 PDE4A 5/4885PDE4B 3/4885PDE4C 12/4885

“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.