SCHEMBL8301516

SCHEMBL8301516

CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NC(=O)c2cc(F)cnc2OC2CCSCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.43
PDE4A P27815 1/20 0.43
PDE4D Q08499 1/20 0.43
PARP1 P09874 1/20 0.40
IRAK4 Q9NWZ3 3/20 0.38
SSTR4 P31391 2/20 0.38
TYK2 P29597 3/20 0.36
CACNB4 O00305 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNG3 O60359 1/20 0.36
CACNA1F O60840 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNB3 P54284 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNG7 P62955 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1D Q01668 1/20 0.36
CACNB1 Q02641 1/20 0.36
CACNG1 Q06432 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
SCHEMBL4193766 1.00 PDE4B (0.43) PDE4BPDE4APDE4DPARP1IRAK4
SCHEMBL4198559 0.89 TYK2 (0.43) PDE4BPDE4APDE4DSSTR4TYK2
SCHEMBL4186958 0.89 CACNB4 (0.42) IRAK4SSTR4CACNB4CACNA1ACACNA1G
SCHEMBL8303269 0.89 TYK2 (0.43) PDE4BPDE4APDE4DSSTR4TYK2
SCHEMBL13929049 0.89 CACNB4 (0.42) IRAK4SSTR4CACNB4CACNA1ACACNA1G
SCHEMBL8302740 0.87 PDE4B (0.46) PDE4BPDE4APDE4DTYK2CNR2
SCHEMBL8303135 0.85 PDE4B (0.44) PDE4BPDE4APDE4DTYK2
SCHEMBL4187279 0.85 PDE4B (0.44) PDE4BPDE4APDE4DTYK2
Hydrochloric Acid SCHEMBL4185098 0.84 PDE4B (0.44) PDE4BPDE4APDE4DTYK2
SCHEMBL5550951 0.84 PDE4B (0.43) PDE4BPDE4APDE4DSSTR4TYK2

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-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
US-20090035313-A1 Compounds PFIZER INC. 2009-02-05 US disclosed
EP-1651641-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-05-23 EP disclosed
EP-1651640-B1 NICOTINAMIDE DERIVATIVES USEFUL AS PDE4 INHIBITORS PFIZER LTD (GB) 2007-02-14 EP disclosed
WO-2005009995-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-20090035313-A1 Compounds NQO1, NAMPT, NNT PDE4B 719/4885PDE4A 1024/4885PDE4D 1102/4885

“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.