SCHEMBL6062955

SCHEMBL6062955

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.47
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
CCR3 P51677 11/20 0.42
CYP2D6 P10635 8/20 0.42
KMT2A Q03164 1/20 0.41
USP2 O75604 1/20 0.40

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
SCHEMBL6064221 0.91 PDE4A (0.47) PTGER4PDE4APDE4BPDE4DCCR3
SCHEMBL6064470 0.86 PDE4B (0.53) PTGER4PDE4APDE4BPDE4DCCR3
SCHEMBL6064471 0.86 PDE4B (0.53) PTGER4PDE4APDE4BPDE4DCCR3
SCHEMBL8352043 0.86 PDE4B (0.57) PTGER4PDE4APDE4BPDE4DKMT2A
SCHEMBL6063047 0.86 PDE4B (0.57) PTGER4PDE4APDE4BPDE4DKMT2A
SCHEMBL6063210 0.84 PDE4B (0.50) PTGER4PDE4APDE4BPDE4DCCR3
SCHEMBL6063474 0.84 PDE4B (0.50) PTGER4PDE4APDE4BPDE4DKMT2A
SCHEMBL8352421 0.83 MEN1 (0.56) CCR3CYP2D6KMT2A
Hydrochloric Acid SCHEMBL6063133 0.82 PDE4B (0.47) PTGER4PDE4APDE4BPDE4DCCR3
SCHEMBL6064396 0.80 PDE4B (0.46) PTGER4PDE4APDE4BPDE4DKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 PTGER4 51/4885PDE4A 1/4885PDE4B 2/4885
US-20030220361-A1 Administering together tiotropium salt and substituted 3-amidopyridine derivatives for treating inflammation, allergic and respiratory diseases NNT, IL5, NOX5 PTGER4 290/4885PDE4A 69/4885PDE4B 74/4885
US-20040224975-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C PTGER4 51/4885PDE4A 1/4885PDE4B 2/4885
US-20030220366-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C PTGER4 51/4885PDE4A 1/4885PDE4B 2/4885

“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.