SCHEMBL2406182

SCHEMBL2406182

COc1ccc(C(CC2CC2)C(N)=O)cc1OC(F)F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 17/20 0.42
PDE4A P27815 14/20 0.42
PDE4C Q08493 14/20 0.42
PDE4D Q08499 14/20 0.42
F11 P03951 1/20 0.40
KLKB1 P03952 1/20 0.40
ACHE P22303 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2410391 0.96 PDE4B (0.46) PDE4BPDE4APDE4CPDE4DF11
SCHEMBL2403528 0.90 ACHE (0.47) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL2404782 0.84 PDE4B (0.47) PDE4BPDE4APDE4CPDE4DL3MBTL1
SCHEMBL2406045 0.84 PDE4B (0.40) PDE4BACHE
SCHEMBL2404081 0.84 BLM (0.49) ACHE
SCHEMBL2405230 0.83 MAPK1 (0.51) PDE4BPDE4APDE4CPDE4DACHE
SCHEMBL2405482 0.81 PDE4B (0.36) PDE4BACHE
SCHEMBL2403865 0.79 TDP1 (0.42) L3MBTL1
SCHEMBL2406319 0.78 MAPT (0.35)
SCHEMBL6023450 0.77 AKR1C3 (0.56) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 PDE4B 822/4885PDE4A 932/4885PDE4C 1661/4885

“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.