SCHEMBL13866014

SCHEMBL13866014

CC(=O)Nc1ccc(N2CC(c3nc4c(cnn4C4CCCCC4)c(=O)[nH]3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 20/20 0.51
PDE1C Q14123 4/20 0.50
PDE5A O76074 2/20 0.50
PDE4A P27815 2/20 0.50
PDE1B Q01064 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
PDE7A Q13946 2/20 0.50
PDE10A Q9Y233 2/20 0.50
PDE2A O00408 1/20 0.50
PDE3A Q14432 1/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49

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
SCHEMBL4513806 0.89 PDE9A (0.53) PDE9APDE1CPDE5APDE1BHDAC1
SCHEMBL4520709 0.85 PDE9A (0.51) PDE9APDE1CPDE5APDE4APDE1B
SCHEMBL4513098 0.84 PDE9A (0.51) PDE9APDE1CPDE5APDE4APDE1B
SCHEMBL13866017 0.84 PDE9A (0.59) PDE9APDE1C
SCHEMBL13866010 0.84 PDE9A (0.66) PDE9APDE1CPDE5APDE4APDE1B
SCHEMBL4505059 0.83 PDE9A (0.49) PDE9APDE5APDE4APDE1BPDE4B
SCHEMBL4498176 0.83 PDE9A (0.50) PDE9APDE1C
SCHEMBL13865994 0.82 PDE9A (0.62) PDE9APDE1CHDAC1HDAC2HDAC6
SCHEMBL4510619 0.82 PDE9A (0.55) PDE9APDE1C
SCHEMBL4502023 0.81 PDE9A (0.60) PDE9APDE1CPDE5APDE4APDE1B

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 190/4885PDE5A 7/4885

“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.