SCHEMBL4428690

SCHEMBL4428690

COC1CN(c2nc(C3CC3)nc(Cl)c2C)C1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.68
PDE4A P27815 9/20 0.68
PDE4B Q07343 9/20 0.68
PDE4C Q08493 9/20 0.68
PDE4D Q08499 9/20 0.68
PDE10A Q9Y233 9/20 0.64

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
SCHEMBL4432266 0.83 PDE10A (0.69) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4422798 0.82 PDE10A (0.68) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4422617 0.82 PDE10A (0.68) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL26975152 0.79 PDE10A (0.64) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4421504 0.78 PDE10A (0.94) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4432199 0.76 PDE10A (0.68) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL26975097 0.75 PDE10A (0.75) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL20302509 0.73 PDE10A (0.59) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL29595206 0.73 PDE10A (0.59) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL275864 0.73 PDE10A (1.00) PDE10A

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-20060074068-A1 Chemical compounds with dual activity, processes for their preparation and pharmaceutical compositions UCB, S.A. (BE) 2006-04-06 US claimed
EP-1499598-A1 CHEMICAL COMPOUNDS WITH DUAL ACTIVITY, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS UCB, S.A. (BE) 2005-01-26 EP claimed
WO-2003087064-A1 CHEMICAL COMPOUNDS WITH DUAL ACTIVITY, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS UCB, S.A. (BE) 2003-10-23 WO claimed
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

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.