SCHEMBL4881805

SCHEMBL4881805

c1ccc2c(c1)CC(Oc1cc(C3=NOC4(CCCC4)C3)ccc1OCC1CC1)C2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 8/20 0.40
PDE4B Q07343 7/20 0.40
PDE4C Q08493 7/20 0.40
PDE4D Q08499 7/20 0.40
SLC6A4 P31645 3/20 0.34
HTR6 P50406 1/20 0.34
CYP2C9 P11712 2/20 0.34
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
SPIN1 Q9Y657 1/20 0.33

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
SCHEMBL4874438 0.99 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DSLC6A4
SCHEMBL3677938 0.89 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DSLC6A4
SCHEMBL4879648 0.87 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4877923 0.86 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DSLC6A4
SCHEMBL4871798 0.86 PDE4A (0.43) PDE4APDE4BPDE4CPDE4DCHRNB4
SCHEMBL4879811 0.86 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL4874357 0.86 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DSLC6A4
SCHEMBL4880881 0.86 PDE4B (0.40) PDE4APDE4BPDE4CPDE4DSLC6A4
SCHEMBL4871229 0.86 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DSLC6A4
SCHEMBL4879467 0.85 PDE4A (0.50) PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009535-A1 Inhibitors of phosphodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2008-01-10 US claimed
EP-1840123-A1 Isoxazolines and their use as inhibitors of phosphodiesterase type-IV Ranbaxy Laboratories Limited (IN) 2007-10-03 EP claimed
US-20080009535-A1 Inhibitors of phosphodiesterase type-IV RANBAXY LABORATORIES LIMITED (IN) 2008-01-10 US disclosed
EP-1840123-A1 Isoxazolines and their use as inhibitors of phosphodiesterase type-IV Ranbaxy Laboratories Limited (IN) 2007-10-03 EP 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-20080009535-A1 Inhibitors of phosphodiesterase type-IV PDE4A, PDE3B, PDE4B PDE4A 1/4885PDE4B 3/4885PDE4C 4/4885

“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.