SCHEMBL5750463

SCHEMBL5750463

CSc1cccc(Oc2ncc(F)cc2C(=O)NC2(CO)CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.44
PDE4B Q07343 8/20 0.38
PDE4A P27815 1/20 0.38
PDE4D Q08499 1/20 0.38
CNR2 P34972 3/20 0.36
NTRK1 P04629 2/20 0.36
JAK2 O60674 1/20 0.36
PTGER2 P43116 1/20 0.36

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
SCHEMBL5746951 0.89 PTGER4 (0.44) PTGER4PDE4BPDE4APDE4DCNR2
SCHEMBL5750304 0.78 PDE4B (0.45) PTGER4PDE4BPDE4APDE4D
SCHEMBL5693434 0.77 PTGER4 (0.52) PTGER4PDE4BPDE4APDE4DPTGER2
SCHEMBL8297065 0.77 PTGER4 (0.47) PTGER4PDE4BPDE4APDE4DPTGER2
SCHEMBL5840506 0.77 PDE4B (0.44) PTGER4PDE4BPDE4APDE4DCNR2
SCHEMBL5840997 0.77 PDE4B (0.44) PTGER4PDE4BPDE4APDE4DCNR2
SCHEMBL5840990 0.77 PDE4B (0.44) PTGER4PDE4BPDE4APDE4DCNR2
SCHEMBL5839198 0.77 PDE4B (0.44) PTGER4PDE4BPDE4APDE4DCNR2
SCHEMBL5839196 0.77 PDE4B (0.44) PTGER4PDE4BPDE4APDE4DCNR2
SCHEMBL5778542 0.77 PDE4B (0.53) PDE4BPDE4APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141586-B2 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. (US) 2006-11-28 US disclosed
EP-1651609-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS Pfizer Limited (GB) 2006-05-03 EP disclosed
US-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC. 2005-02-10 US disclosed
WO-2005009966-A1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LIMITED (GB) 2005-02-03 WO disclosed
WO-2005009966-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-20050032838-A1 Nicotinamide derivatives useful as PDE4 inhibitors CBR3, CBR1, PDE9A PTGER4 116/4885PDE4B 8/4885PDE4A 6/4885

“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.