SCHEMBL5754512

SCHEMBL5754512

CSc1cccc(Oc2ncc(C)cc2C(=O)NC2CCC(NC(=O)c3cc(CO)ccc3O)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.53
PDE4D Q08499 2/20 0.53
PDE4A P27815 1/20 0.53
KCNH2 Q12809 1/20 0.45
PTGER4 P35408 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
SCHEMBL5748019 0.85 PDE4B (0.74) PDE4BPDE4DPDE4AKCNH2
SCHEMBL5751140 0.85 PDE4B (0.53) PDE4BPDE4DPDE4A
SCHEMBL8297697 0.84 PDE4B (0.49) PDE4BPDE4DPDE4APTGER4
Hydrochloric Acid SCHEMBL5868189 0.84 PDE4B (0.48) PDE4BPDE4DPDE4APTGER4
SCHEMBL5839396 0.82 PDE4B (0.55) PDE4BPDE4DPDE4AKCNH2
SCHEMBL5868115 0.81 PDE4B (0.46) PDE4BPDE4DPDE4APTGER4
SCHEMBL8297009 0.81 PDE4B (0.46) PDE4BPDE4DPDE4APTGER4
SCHEMBL5752209 0.79 PDE4B (0.63) PDE4BPDE4DPDE4AKCNH2PTGER4
SCHEMBL5750041 0.79 PDE4B (0.59) PDE4BPDE4DPDE4A
SCHEMBL5750853 0.78 PDE4B (0.64) PDE4BPDE4DPDE4AKCNH2

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-7056934-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC (US) 2006-06-06 US claimed
EP-1654234-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-10 EP claimed
US-20050038033-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-02-17 US claimed
WO-2005009965-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO claimed
US-7056934-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC (US) 2006-06-06 US disclosed
EP-1654234-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-10 EP disclosed
US-20050038033-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-02-17 US disclosed
WO-2005009965-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 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 (1 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-20050038033-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4C PDE4B 2/4885PDE4D 5/4885PDE4A 1/4885

“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.