SCHEMBL6063161

SCHEMBL6063161

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.52
PDE4B Q07343 1/20 0.52
PDE4D Q08499 1/20 0.52
PTGER4 P35408 2/20 0.50
TP53 P04637 2/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
USP30 Q70CQ3 2/20 0.47
THRB P10828 1/20 0.46
S1PR2 O95136 1/20 0.46
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6063525 0.87 PDE4B (0.58) PDE4APDE4BPDE4DPTGER4
SCHEMBL5746339 0.86 PDE4B (0.47) PDE4APDE4BPDE4DTP53LMNA
SCHEMBL5768960 0.82 TP53 (0.51) TP53LMNAPOLBUSP30THRB
SCHEMBL6063148 0.81 PDE4B (0.52) PDE4APDE4BPDE4DPTGER4LMNA
SCHEMBL6063373 0.80 PDE4B (0.62) PDE4APDE4BPDE4DPTGER4MEN1
SCHEMBL6064066 0.80 PDE4B (0.57) PDE4APDE4BPDE4DPTGER4
SCHEMBL5748482 0.80 PDE4B (0.52) PDE4APDE4BPDE4DPTGER4MEN1
SCHEMBL8352911 0.79 PDE4B (0.60) PDE4APDE4BPDE4DPTGER4
SCHEMBL8351599 0.79 PDE4B (0.60) PDE4APDE4BPDE4DPTGER4LMNA
SCHEMBL6063667 0.79 PDE4B (0.60) PDE4APDE4BPDE4DPTGER4LMNA

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-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-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
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 PDE4A 1/4885PDE4B 2/4885PDE4D 5/4885
US-20030220361-A1 Administering together tiotropium salt and substituted 3-amidopyridine derivatives for treating inflammation, allergic and respiratory diseases NNT, IL5, NOX5 PDE4A 69/4885PDE4B 74/4885PDE4D 271/4885
US-20040224975-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4D 5/4885
US-20030220366-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4D 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.