SCHEMBL6479890

SCHEMBL6479890

COc1ccc(C2=NN(c3ccc(CCBr)cc3)C(=O)C3CC=CCC23)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 20/20 0.73
PDE4A P27815 16/20 0.73
PDE4B Q07343 16/20 0.73
PDE4C Q08493 16/20 0.73
PDE3B Q13370 3/20 0.66
PDE3A Q14432 3/20 0.66
SLC6A2 P23975 2/20 0.61

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
SCHEMBL6479886 1.00 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL6479884 1.00 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL6529216 0.90 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL6529218 0.90 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL6529215 0.90 PDE4D (0.73) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL6476551 0.87 PDE4D (0.70) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7146899 0.85 PDE4D (0.74) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7146904 0.85 PDE4D (0.74) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL6484102 0.85 PDE4D (0.68) PDE4DPDE4APDE4BPDE4CPDE3B
SCHEMBL7147508 0.85 PDE4B (0.80) PDE4DPDE4APDE4BPDE4CPDE3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933296-B2 Compounds effective as β2-adrenoreceptor agonists as well as PDE4-inhibitors ALTANA PHARMA B.V. (NL) 2005-08-23 US disclosed
US-20030195215-A1 Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors ALTANA PHARMA B.V. (NL) 2003-10-16 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-20030195215-A1 Compounds effective as beta-2 adrenoreceptor agonists as well pde4-inhibitors ADRB1, ADRB2, ADRA1D PDE4D 19/4885PDE4A 10/4885PDE4B 11/4885

“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.