SCHEMBL5483526

SCHEMBL5483526

N#Cc1ccc2c(c1)C1(CCCCC1)C(=O)N2

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 16/20 0.74
PDE4A P27815 3/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
PDE3B Q13370 3/20 0.47
PDE3A Q14432 3/20 0.47
NR3C1 P04150 1/20 0.46
EPHX2 P34913 1/20 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
SCHEMBL25316089 0.88 PGR (0.60) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL4791200 0.88 PGR (0.62) PGR
SCHEMBL30681133 0.87 PGR (0.59) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL23778446 0.87 PGR (0.59) PGRPDE4APDE4BPDE4CPDE4D
SCHEMBL9376088 0.86 PGR (0.61) PGR
SCHEMBL3523720 0.85 PGR (1.00) PGRNR3C1
SCHEMBL5226194 0.84 PGR (1.00) PGRNR3C1
SCHEMBL30681139 0.83 PGR (0.55) PGREPHX2
SCHEMBL25900353 0.83 PGR (0.55) PGR
SCHEMBL25900356 0.80 PGR (0.52) PGR

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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use COMT, PNMT, GLS PGR 230/4885PDE4A 316/4885PDE4B 357/4885

“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.