SCHEMBL13865835

SCHEMBL13865835

O=C(NCCN1CCOCC1)N1CC(c2nc3c(cnn3C3CCCCC3)c(=O)[nH]2)C1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 20/20 0.58
PDE1C Q14123 3/20 0.47
PDE1B Q01064 4/20 0.47
PDE1A P54750 1/20 0.45
PDE5A O76074 1/20 0.45
PDE7A Q13946 1/20 0.45
PDE10A Q9Y233 1/20 0.45

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
SCHEMBL13865893 0.95 PDE9A (0.55) PDE9APDE1CPDE1BPDE1A
SCHEMBL13865883 0.93 PDE9A (0.53) PDE9APDE1CPDE1BPDE5APDE7A
SCHEMBL13865901 0.85 PDE9A (0.61) PDE9APDE1CPDE1BPDE5APDE7A
SCHEMBL4505702 0.83 PDE9A (0.49) PDE9APDE1CPDE1BPDE5APDE7A
SCHEMBL4498031 0.82 PDE9A (0.48) PDE9APDE1CPDE1BPDE5APDE7A
SCHEMBL13865809 0.82 PDE9A (0.54) PDE9APDE1CPDE1B
SCHEMBL4524011 0.82 PDE9A (0.57) PDE9APDE1CPDE1BPDE5APDE7A
SCHEMBL4513098 0.81 PDE9A (0.51) PDE9APDE1CPDE1BPDE5APDE7A
SCHEMBL13865836 0.81 PDE9A (0.46) PDE9APDE1CPDE1BPDE5APDE7A
SCHEMBL13865737 0.81 PDE9A (0.54) PDE9APDE1CPDE1BPDE5APDE7A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 US disclosed
US-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases GALAPAGOS NV (BE) 2009-05-28 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B PDE9A 13/4885PDE1C 190/4885PDE1B 95/4885

“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.