SCHEMBL6064036

SCHEMBL6064036

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cc(F)cnc2Oc2ccc(F)c(Cl)c2)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.59
PDE4A P27815 1/20 0.59
PDE4D Q08499 1/20 0.59
PTGER4 P35408 1/20 0.42
CYP3A4 P08684 1/20 0.41
SCN9A Q15858 1/20 0.41
HPGD P15428 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
SCHEMBL8349381 0.92 PDE4B (0.70) PDE4BPDE4APDE4DPTGER4CYP3A4
SCHEMBL5203750 0.92 PDE4B (0.70) PDE4BPDE4APDE4DPTGER4CYP3A4
SCHEMBL6063525 0.89 PDE4B (0.58) PDE4BPDE4APDE4DPTGER4
SCHEMBL8295429 0.88 PDE4B (0.58) PDE4BPDE4APDE4DPTGER4CYP3A4
SCHEMBL8354237 0.86 PDE4B (0.61) PDE4BPDE4APDE4DCYP3A4SCN9A
Hydrochloric Acid SCHEMBL6063601 0.85 PDE4B (0.61) PDE4BPDE4APDE4DCYP3A4SCN9A
SCHEMBL6063303 0.84 PDE4B (0.53) PDE4BPDE4APDE4DPTGER4CYP3A4
SCHEMBL8353996 0.84 PDE4B (0.53) PDE4BPDE4APDE4DPTGER4CYP3A4
SCHEMBL5839521 0.82 PDE4B (0.51) PDE4BPDE4APDE4DCYP3A4
SCHEMBL5841990 0.82 PDE4B (0.51) PDE4BPDE4APDE4DCYP3A4

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 12 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-1069107-B1 FULLERENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 2005-05-11 EP disclosed
US-20040224975-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2004-11-11 US disclosed
US-20040214218-A1 Fullerene derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-28 US disclosed
US-6765098-B1 DNA COMPACTION; GENE THERAPY FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2004-07-20 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
EP-1069107-A1 FULLERENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-17 EP 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 (5 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-20040214218-A1 Fullerene derivatives RCC1, TOP2A, DNAH12 PDE4B 3890/4885PDE4A 4068/4885PDE4D 4023/4885
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.