SCHEMBL6063643

SCHEMBL6063643

CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cccnc2Oc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.46
KDM4D Q6B0I6 6/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE10A Q9Y233 1/20 0.41
KDM6A O15550 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
SCHEMBL8350713 1.00 PDE4A (0.50) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL8353996 0.86 PDE4B (0.53) PDE4APDE4BPDE4DKDM4D
SCHEMBL6063303 0.86 PDE4B (0.53) PDE4APDE4BPDE4DKDM4D
Hydrochloric Acid SCHEMBL6063508 0.85 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL8353310 0.85 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL6063313 0.85 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL8353463 0.83 CNR1 (0.56) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL6063273 0.83 CNR1 (0.56) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL8351875 0.83 CNR1 (0.56) PDE4APDE4BPDE4CPDE4DCNR1
SCHEMBL5840651 0.81 PDE4B (0.44) PDE4BPDE4DCNR1CNR2L3MBTL1

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 6 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
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

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 2/4885PDE4C 3/4885
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 74/4885PDE4C 262/4885
US-20040224975-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885
US-20030220366-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C PDE4A 1/4885PDE4B 2/4885PDE4C 3/4885

“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.