SCHEMBL8313004

SCHEMBL8313004

N[C@H]1CC[C@@H](NC(=O)c2cc(F)cnc2Oc2ccc3c(c2)SCC3)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.53
PDE4A P27815 1/20 0.53
PDE4D Q08499 1/20 0.53
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
SMYD3 Q9H7B4 1/20 0.39

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
SCHEMBL5424886 1.00 PDE4B (0.53) PDE4BPDE4APDE4DF2F10
SCHEMBL5441686 0.93 PDE4B (0.53) PDE4BPDE4APDE4DF2F10
SCHEMBL5424882 0.91 PDE4B (0.51) PDE4BPDE4APDE4D
SCHEMBL5433091 0.90 PDE4B (0.62) PDE4BPDE4APDE4D
SCHEMBL5426448 0.89 PDE4B (0.55) PDE4BPDE4APDE4D
SCHEMBL5430829 0.87 PDE4B (0.60) PDE4BPDE4APDE4D
SCHEMBL5432109 0.87 PDE4B (0.55) PDE4BPDE4APDE4D
SCHEMBL14562583 0.87 PDE4B (0.51) PDE4BPDE4APDE4D
SCHEMBL6056204 0.87 PDE4B (0.51) PDE4BPDE4APDE4D
SCHEMBL5427210 0.87 PDE4B (0.73) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066645-A1 NOVEL COMPOUNDS PFIZER INC. 2007-03-22 US disclosed
US-20070066645-A1 NOVEL COMPOUNDS PFIZER INC. 2007-03-22 US disclosed
WO-2005009438-A1 NICOTINAMIDE COMPOUNDS 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-20070066645-A1 NOVEL COMPOUNDS NQO1, NAMPT, NADK PDE4B 712/4885PDE4A 1010/4885PDE4D 902/4885

“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.