SCHEMBL6064076

SCHEMBL6064076

Cc1ccc(C(=O)NC2CCC(NC(=O)c3cccnc3Oc3ccc(F)cc3)CC2)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.56
PDE4B Q07343 2/20 0.56
PDE4D Q08499 2/20 0.56
CNR1 P21554 3/20 0.55
CNR2 P34972 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
TAS1R3 Q7RTX0 1/20 0.54
TAS1R1 Q7RTX1 1/20 0.54
TAS1R2 Q8TE23 1/20 0.54
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.48
PDE4C Q08493 1/20 0.48

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
SCHEMBL6063263 0.88 CNR1 (0.58) PDE4APDE4BPDE4DCNR1CNR2
SCHEMBL6063331 0.87 PDE4B (0.72) PDE4APDE4BPDE4DTAS1R3TAS1R1
SCHEMBL8349753 0.87 PDE4B (0.72) PDE4APDE4BPDE4DTAS1R3TAS1R1
SCHEMBL5747125 0.83 TAS1R3 (0.50) PDE4APDE4BPDE4DCNR1CNR2
SCHEMBL4086021 0.83 MAPK8 (0.59) GAA
SCHEMBL8352785 0.83 CNR1 (0.59) PDE4APDE4BPDE4DCNR1CNR2
SCHEMBL8351097 0.83 CNR1 (0.59) PDE4APDE4BPDE4DCNR1CNR2
SCHEMBL6063395 0.82 CNR1 (0.50) PDE4APDE4BPDE4DCNR1CNR2
SCHEMBL6063583 0.82 CNR2 (0.58) PDE4APDE4BPDE4DCNR1CNR2
Hydrochloric Acid SCHEMBL6063567 0.82 CNR1 (0.58) PDE4APDE4BPDE4DCNR1CNR2

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 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.