SCHEMBL13865825

SCHEMBL13865825

CN(C)c1ccc(C(=O)N2CCCC(c3nc4c(cnn4C4CCCCC4)c(=O)[nH]3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 18/20 0.50
PDE1B Q01064 6/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
PDE5A O76074 2/20 0.45
PDE7A Q13946 2/20 0.45
PDE10A Q9Y233 2/20 0.45
PDE1C Q14123 2/20 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
SCHEMBL13865803 0.90 PDE9A (0.47) PDE9APDE1BHDAC1HDAC2HDAC6
SCHEMBL4512337 0.84 PDE9A (0.49) PDE9APDE1BHDAC1HDAC2HDAC6
SCHEMBL13865821 0.84 HPGD (0.46) HPGDALDH1A1TSHRHTT
SCHEMBL13865848 0.84 HPGD (0.50) HPGDALDH1A1TSHRHTT
SCHEMBL13865862 0.83 PDE9A (0.55) PDE9APDE1BHDAC1HDAC2HDAC6
SCHEMBL13865815 0.82 PDE9A (0.57) PDE9AHPGDALDH1A1
SCHEMBL13865759 0.82 PDE9A (0.56) PDE9APDE1BPDE5APDE7APDE10A
SCHEMBL13865740 0.81 PDE9A (0.55) PDE9APDE1BPDE5APDE7APDE10A
SCHEMBL13865885 0.81 PDE9A (0.61) PDE9APDE1BPDE5APDE7APDE10A
SCHEMBL13865749 0.80 PDE9A (0.54) PDE9APDE1BPDE5APDE7APDE10A

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 13/4885PDE1B 95/4885HDAC1 869/4885

“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.