SCHEMBL6063302

SCHEMBL6063302

COC(=O)CCCCCCNC(=O)NC1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.51
PDE4A P27815 1/20 0.51
PDE4D Q08499 1/20 0.51
EPHX2 P34913 2/20 0.48
PTGER4 P35408 5/20 0.47
CNR2 P34972 1/20 0.41
ABHD6 Q9BV23 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
SCHEMBL6062751 0.93 PDE4B (0.54) PDE4BPDE4APDE4DEPHX2PTGER4
SCHEMBL6064255 0.91 PDE4B (0.51) PDE4BPDE4APDE4DEPHX2PTGER4
SCHEMBL6063958 0.87 PDE4B (0.54) PDE4BPDE4APDE4DPTGER4CNR2
SCHEMBL6063131 0.86 PDE4B (0.54) PDE4BPDE4APDE4DPTGER4CNR2
SCHEMBL6064520 0.86 PDE4B (0.56) PDE4BPDE4APDE4DPTGER4CNR2
SCHEMBL6063484 0.85 PDE4B (0.55) PDE4BPDE4APDE4DPTGER4CNR2
SCHEMBL8352911 0.82 PDE4B (0.60) PDE4BPDE4APDE4DPTGER4CNR2
SCHEMBL8349396 0.80 PDE4B (0.59) PDE4BPDE4APDE4DPTGER4CNR2
SCHEMBL6062652 0.80 PDE4B (0.59) PDE4BPDE4APDE4DPTGER4CNR2
SCHEMBL6063685 0.79 PDE4B (0.58) PDE4BPDE4APDE4DPTGER4CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014780-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2006-01-19 US claimed
US-20030220366-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2003-11-27 US claimed
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
EP-1476158-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2004-11-17 EP 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
WO-2003068233-A1 NICOTINAMIDE DERIVATIVES AND A TIOTROPIUM SALT IN COMBINATION FOR THE TREATMENT OF E.G. INFLAMMATORY, ALLERGIC AND RESPIRATORY DISEASES PFIZER LIMITED (GB) 2003-08-21 WO disclosed
WO-2003068235-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2003-08-21 WO 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.