SCHEMBL6418032

SCHEMBL6418032

CCNc1ncc2nc(C(C)C)nc-2n1Cc1ccc(OC)c(OC2CCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 16/20 0.45
PDE4B Q07343 12/20 0.45
PDE4C Q08493 11/20 0.45
PDE4D Q08499 11/20 0.45
SSTR5 P35346 1/20 0.41
TPH1 P17752 1/20 0.37

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
SCHEMBL7241642 0.79 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DSSTR5
SCHEMBL29623586 0.78 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL196243 0.78 PDE4A (0.52) PDE4APDE4BPDE4CPDE4D
SCHEMBL7676524 0.78 PDE4B (0.45) PDE4APDE4BPDE4CPDE4DSSTR5
Hydrochloric Acid SCHEMBL30543740 0.77 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL154624 0.77 PDE4A (0.51) PDE4APDE4BPDE4CPDE4D
SCHEMBL6418035 0.74 PDE4A (0.42) PDE4APDE4BPDE4CPDE4D
SCHEMBL8978342 0.74 PDE4B (0.44) PDE4APDE4BPDE4CPDE4DSSTR5
Hydrochloric Acid SCHEMBL7032971 0.73 PDE4B (0.43) PDE4APDE4BPDE4CPDE4DSSTR5
SCHEMBL7380391 0.73 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050112069-A1 Pharmaceutical composition of a pde4 or pde 3/4 inhibitor and histamine receptor antagonist NYCOMED GMBH (DE) 2005-05-26 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-20050112069-A1 Pharmaceutical composition of a pde4 or pde 3/4 inhibitor and histamine receptor antagonist HRH4, PDE4A, PDE4B PDE4A 2/4885PDE4B 3/4885PDE4C 5/4885

“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.