SCHEMBL4140485

SCHEMBL4140485

O=C(O)N1CCC(Oc2cc(C3=NOC4(CCOC4)C3)ccc2OC(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 20/20 0.40
PDE4A P27815 11/20 0.40
PDE4B Q07343 11/20 0.40
PDE4C Q08493 11/20 0.40

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
SCHEMBL3680467 0.95 PDE4D (0.37) PDE4DPDE4APDE4BPDE4C
SCHEMBL3676661 0.95 PDE4D (0.37) PDE4DPDE4APDE4BPDE4C
SCHEMBL917973 0.92 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL916251 0.92 PDE4D (0.39) PDE4DPDE4APDE4BPDE4C
SCHEMBL917619 0.92 PDE4D (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL918227 0.91 MEN1 (0.39) PDE4DPDE4APDE4BPDE4C
SCHEMBL916825 0.90 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL918339 0.90 PDE4D (0.41) PDE4DPDE4APDE4BPDE4C
SCHEMBL917329 0.90 PDE4D (0.51) PDE4DPDE4APDE4BPDE4C
SCHEMBL916681 0.89 PIK3CD (0.39) PDE4DPDE4APDE4BPDE4C

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-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-09-03 US claimed

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-20090221664-A1 PHARMACEUTICAL COMPOSITIONS OF MUSCARINIC RECEPTOR ANTAGONISTS ADRB2, ADRB1, ADRA2C PDE4D 45/4885PDE4A 17/4885PDE4B 12/4885

“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.