SCHEMBL6064221

SCHEMBL6064221

COC(=O)c1ccccc1C(=O)N1C2CCC1CC(NC(=O)c1cc(F)cnc1Oc1ccc(F)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4D Q08499 1/20 0.47
PTGER4 P35408 4/20 0.43
USP2 O75604 1/20 0.41
CYP2D6 P10635 7/20 0.41
CCR3 P51677 7/20 0.41
DRD3 P35462 1/20 0.41
HTR3A P46098 3/20 0.39

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
SCHEMBL6062955 0.91 PTGER4 (0.47) PDE4APDE4BPDE4DPTGER4USP2
SCHEMBL8353587 0.86 PDE4B (0.58) PDE4APDE4BPDE4DPTGER4
SCHEMBL6063391 0.86 PDE4B (0.58) PDE4APDE4BPDE4DPTGER4
SCHEMBL6063474 0.86 PDE4B (0.50) PDE4APDE4BPDE4DPTGER4DRD3
SCHEMBL6064470 0.85 PDE4B (0.53) PDE4APDE4BPDE4DPTGER4CYP2D6
SCHEMBL6064471 0.85 PDE4B (0.53) PDE4APDE4BPDE4DPTGER4CYP2D6
SCHEMBL6063210 0.82 PDE4B (0.50) PDE4APDE4BPDE4DPTGER4CCR3
Hydrochloric Acid SCHEMBL6063133 0.81 PDE4B (0.47) PDE4APDE4BPDE4DPTGER4CYP2D6
SCHEMBL8352421 0.80 MEN1 (0.56) CYP2D6CCR3DRD3
SCHEMBL6064393 0.79 PDE4B (0.46) PDE4APDE4BPDE4DPTGER4

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 9 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-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.