SCHEMBL223455

SCHEMBL223455

CCn1ncc2c(NC3CCOCC3)c(C(=O)O)c(C(F)(F)F)nc21

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.57
PDE3B Q13370 1/20 0.42
PDE7A Q13946 1/20 0.42
PDE3A Q14432 1/20 0.42

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
SCHEMBL220374 0.90 PDE4B (0.53) PDE4BPDE7A
SCHEMBL219892 0.90 PDE4B (0.67) PDE4B
SCHEMBL254775 0.87 PDE4B (0.52) PDE4B
SCHEMBL221173 0.86 PDE4B (0.61) PDE4BPDE3BPDE7APDE3A
SCHEMBL1363559 0.85 PDE4B (0.60) PDE4B
SCHEMBL1435670 0.84 PDE4B (0.54) PDE4BPDE3BPDE7APDE3A
SCHEMBL4937074 0.84 PDE4B (0.59) PDE4B
SCHEMBL4937412 0.83 PDE4B (0.58) PDE4B
SCHEMBL223088 0.83 PDE4B (0.53) PDE4BPDE3BPDE7APDE3A
SCHEMBL4935971 0.83 PDE4B (0.58) PDE4BPDE3BPDE7APDE3A

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 3/4885PDE3B 10/4885PDE7A 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.