SCHEMBL6063553

SCHEMBL6063553

O=C(NC1CCC(NC(=O)c2c(O)cccc2F)CC1)c1cccnc1Oc1ccc2c(c1)OCO2

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 6/20 0.52
PDE4A P27815 2/20 0.52
PDE4D Q08499 2/20 0.52
PDE4C Q08493 1/20 0.52
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
KDM4D Q6B0I6 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CNR1 P21554 3/20 0.41
CNR2 P34972 3/20 0.41
TP53 P04637 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
SCHEMBL6063313 0.89 PDE4A (0.51) PDE4BPDE4APDE4DPDE4CPOLB
SCHEMBL8353310 0.89 PDE4A (0.51) PDE4BPDE4APDE4DPDE4CPOLB
SCHEMBL6063788 0.86 CNR1 (0.53) PDE4BPDE4APDE4DPDE4CL3MBTL1
SCHEMBL8350380 0.86 CNR1 (0.53) PDE4BPDE4APDE4DPDE4CL3MBTL1
Hydrochloric Acid SCHEMBL6063508 0.83 PDE4A (0.51) PDE4BPDE4APDE4DPDE4CPOLB
SCHEMBL8350713 0.80 PDE4A (0.50) PDE4BPDE4APDE4DPDE4CPOLB
SCHEMBL6063643 0.80 PDE4A (0.50) PDE4BPDE4APDE4DPDE4CPOLB
SCHEMBL8349245 0.76 PDE4B (0.71) PDE4BPDE4APDE4D
SCHEMBL6064025 0.76 PDE4B (0.71) PDE4BPDE4APDE4D
SCHEMBL6063263 0.75 CNR1 (0.58) PDE4BPDE4APDE4DPDE4CLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014780-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2006-01-19 US claimed
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
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 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.