SCHEMBL2406045

SCHEMBL2406045

COc1ccc(C(CC2CC2)C(N)=O)cc1C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.40
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
FFAR1 O14842 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ACHE P22303 1/20 0.38
CTSD P07339 2/20 0.36
AAK1 Q2M2I8 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
SCHEMBL2403528 0.91 ACHE (0.47) PDE4BACHECTSD
SCHEMBL2404559 0.85 CNR2 (0.39)
SCHEMBL2404782 0.85 PDE4B (0.47) PDE4B
SCHEMBL2404081 0.84 BLM (0.49) ACHE
SCHEMBL2405482 0.84 PDE4B (0.36) PDE4BACHECTSD
SCHEMBL2405230 0.84 MAPK1 (0.51) PDE4BACHE
SCHEMBL2406182 0.84 PDE4B (0.42) PDE4BACHE
SCHEMBL2410391 0.83 PDE4B (0.46) PDE4BACHE
SCHEMBL2403865 0.80 TDP1 (0.42)
SCHEMBL2405217 0.80 PDE4B (0.43) PDE4BFFAR1

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 822/4885TAS1R3 772/4885TAS1R1 1021/4885

“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.