SCHEMBL4826671

SCHEMBL4826671

CC(C)(O)C1C2CCC1CC(CNC(=O)c1cccnc1Oc1ccc3nonc3c1)C2

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MAPK8 P45983 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL4825943 0.88 AURKA (0.43) GAAMAPK8TSHRHTTL3MBTL1
SCHEMBL4825960 0.88 AURKA (0.43) GAAMAPK8TSHRHTTL3MBTL1
SCHEMBL5389768 0.86 PDE4A (0.45) GAAMAPK8
SCHEMBL5446252 0.86 PDE4A (0.45) GAAMAPK8
SCHEMBL4823611 0.84 GAA (0.41) GAAMAPK8TSHRHTTL3MBTL1
SCHEMBL5397365 0.83 GAA (0.42) GAAMAPK8
SCHEMBL14223448 0.81 GAA (0.39) GAAMAPK8TSHRHTTL3MBTL1
SCHEMBL5392043 0.80 GAA (0.44) GAAMAPK8
SCHEMBL4831580 0.80 GAA (0.38) GAAMAPK8
SCHEMBL5397797 0.80 PDE4A (0.47) GAAMAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1252158-B1 NICOTINAMIDE BENZOFUSED-HETEROCYCLYL DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE4 ISOZYMES PFIZER PROD INC (US) 2005-04-20 EP claimed
US-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PFIZER INC. 2003-10-02 US claimed
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 US disclosed
US-7354941-B2 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of PDE4 isozymes PFIZER PRODUCTS INC. (US) 2008-04-08 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 (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-20030186989-A1 Nicotinamide benzofused-heterocyclyl derivatives useful as selective inhibitors of pde4 isozymes PDE4B, PDE4A, NOX4 GAA 532/4885MAPK8 1820/4885TSHR 4565/4885

“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.