SCHEMBL220374

SCHEMBL220374

CCn1ncc2c(NC3CCCCC3)c(C(=O)O)c(C(F)(F)F)nc21

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.53
PDE4D Q08499 6/20 0.43
PDE7A Q13946 1/20 0.41

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
SCHEMBL223455 0.90 PDE4B (0.57) PDE4BPDE7A
SCHEMBL223069 0.89 PDE4B (0.66) PDE4B
SCHEMBL222457 0.87 PDE4B (0.51) PDE4BPDE4DPDE7A
SCHEMBL222371 0.85 PDE4B (0.59) PDE4BPDE4D
SCHEMBL219892 0.80 PDE4B (0.67) PDE4B
SCHEMBL4950074 0.78 PDE4B (0.58) PDE4BPDE4DPDE7A
SCHEMBL254775 0.78 PDE4B (0.52) PDE4B
SCHEMBL222453 0.78 PDE4B (0.71) PDE4B
SCHEMBL583156 0.77 PDE4B (0.77) PDE4BPDE4D
SCHEMBL4935971 0.77 PDE4B (0.58) PDE4BPDE7A

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-20120004201-A1 PHOSPHODIESTARASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-01-05 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-20120004201-A1 PHOSPHODIESTARASE INHIBITORS PDE4A, PDE7A, PDE4B PDE4B 3/4885PDE4D 9/4885PDE7A 2/4885

“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.