SCHEMBL6064384

SCHEMBL6064384

O=C(NC1CCC(C(=O)OCc2ccccc2)CC1)c1cc(F)cnc1Oc1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.47
PDE4A P27815 1/20 0.47
PDE4D Q08499 1/20 0.47
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL8353076 1.00 PDE4B (0.47) PDE4BPDE4APDE4DCYP3A4CYP2C9
SCHEMBL8349772 0.87 PDE4B (0.54) PDE4BPDE4APDE4DCYP3A4CYP2C9
SCHEMBL6063464 0.87 PDE4B (0.54) PDE4BPDE4APDE4DCYP3A4CYP2C9
SCHEMBL6901772 0.86 PDE4B (0.46) PDE4BPDE4APDE4DCYP3A4CYP2C9
SCHEMBL6063322 0.83 PDE4B (0.47) PDE4BPDE4APDE4DCYP3A4CYP2C9
SCHEMBL5839602 0.83 PDE4B (0.48) PDE4BPDE4APDE4DCYP3A4
SCHEMBL5839609 0.83 PDE4B (0.48) PDE4BPDE4APDE4DCYP3A4
Hydrochloric Acid SCHEMBL6063423 0.82 PDE4B (0.54) PDE4BPDE4APDE4DCYP3A4CYP2C9
SCHEMBL6063109 0.81 PDE4B (0.50) PDE4BPDE4APDE4DCYP3A4CYP2C9
SCHEMBL6062787 0.79 PDE4B (0.49) PDE4BPDE4APDE4DCYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060717-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC (US) 2006-06-13 US disclosed
US-20060014780-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2006-01-19 US disclosed
US-6949573-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC (US) 2005-09-27 US disclosed
US-20040224975-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2004-11-11 US disclosed
US-20030220361-A1 Administering together tiotropium salt and substituted 3-amidopyridine derivatives for treating inflammation, allergic and respiratory diseases PFIZER INC. 2003-11-27 US disclosed
US-20030220366-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2003-11-27 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 (4 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-20060014780-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4A 1/4885PDE4D 5/4885
US-20030220361-A1 Administering together tiotropium salt and substituted 3-amidopyridine derivatives for treating inflammation, allergic and respiratory diseases NNT, IL5, NOX5 PDE4B 74/4885PDE4A 69/4885PDE4D 271/4885
US-20040224975-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4A 1/4885PDE4D 5/4885
US-20030220366-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4A 1/4885PDE4D 5/4885

“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.