SCHEMBL4590772

SCHEMBL4590772

Cn1c(N2CC(c3nc4c(cnn4C4CCCCC4)c(=O)[nH]3)C2)nc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 19/20 0.53
PDE1C Q14123 4/20 0.53
DRD1 P21728 1/20 0.48
DRD5 P21918 1/20 0.48

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
SCHEMBL13866017 0.83 PDE9A (0.59) PDE9APDE1C
SCHEMBL4510022 0.82 PDE9A (0.53) PDE9APDE1C
SCHEMBL13865963 0.80 PDE9A (0.50) PDE9APDE1C
SCHEMBL13865962 0.80 PDE9A (0.50) PDE9APDE1C
SCHEMBL13866015 0.79 PDE9A (0.64) PDE9APDE1C
SCHEMBL13865993 0.79 PDE9A (0.52) PDE9APDE1C
SCHEMBL1716742 0.79 PDE9A (0.73) PDE9APDE1C
SCHEMBL13865776 0.78 PDE9A (0.58) PDE9APDE1C
SCHEMBL13865992 0.78 PDE9A (0.53) PDE9APDE1C
SCHEMBL4590376 0.77 PDE9A (0.55) PDE9APDE1C

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 3 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
WO-2008055959-A1 NOVEL COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-05-15 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-20090137549-A1 Novel compounds useful for the treatment of degenerative & inflamatory diseases PDE4A, PDE7B, PDE4B PDE9A 13/4885PDE1C 190/4885DRD1 3533/4885

“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.