SCHEMBL4425083

SCHEMBL4425083

CC1CC1c1nc(Cl)cc(Cl)n1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.37
PDE4A P27815 2/20 0.37
PDE4B Q07343 2/20 0.37
PDE4C Q08493 2/20 0.37
PDE4D Q08499 2/20 0.37
FFAR1 O14842 1/20 0.32

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
SCHEMBL4423790 0.80 CHRM3 (0.58) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL21573355 0.78 TAS1R3 (0.36) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL4419861 0.73 CHRM3 (0.37) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL27441790 0.70
SCHEMBL1286211 0.69 PDE10A (0.50) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL18557016 0.64 NPC1 (0.42) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL20402862 0.64 NPC1 (0.42) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL22271218 0.64 NPC1 (0.42) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL18557017 0.64 NPC1 (0.42) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL3134122 0.64 NPC1 (0.42) 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-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.