SCHEMBL6804016

SCHEMBL6804016

CC(C)(C)OC(=O)N(Cc1ccccc1)c1ccc(CC(N)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.49
CNR2 P34972 1/20 0.48
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
STAT5B P51692 1/20 0.43
CHRM2 P08172 2/20 0.42
CHRM1 P11229 2/20 0.42
CHRM3 P20309 2/20 0.42
AKT1 P31749 2/20 0.41
RORC P51449 1/20 0.41
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL31434524 0.85 AKT1 (0.44) NR1H4HDAC3HDAC1HDAC2NCOR2
SCHEMBL23912387 0.85 NR1H4 (0.46) NR1H4HDAC3HDAC1HDAC2NCOR2
SCHEMBL7473118 0.84 LTB4R2 (0.49) NR1H4HDAC3HDAC1HDAC2NCOR2
SCHEMBL4315970 0.83 PTGES (0.54) NR1H4HDAC3HDAC1HDAC2NCOR2
SCHEMBL5906827 0.83 CHRM2 (0.50) NR1H4HDAC3HDAC1HDAC2NCOR2
SCHEMBL19922245 0.83 AKT1 (0.47) NR1H4HDAC3HDAC1HDAC2NCOR2
SCHEMBL16640701 0.81 NR1H4 (0.38) NR1H4HDAC3HDAC1HDAC2NCOR2
SCHEMBL5906599 0.81 AKT1 (0.42) NR1H4HDAC3HDAC1HDAC2NCOR2
SCHEMBL22042475 0.81 TRPM8 (0.45) NR1H4HDAC3HDAC1HDAC2NCOR2
SCHEMBL28628157 0.80 LTB4R2 (0.56) NR1H4HDAC3HDAC1HDAC2NCOR2

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-20040101864-A1 Chemical process ATRAZENECA AB (SE) 2004-05-27 US disclosed
EP-1320538-A2 PROCESS FOR THE PREPARATION OF 5-PHENYLPENTANOYL-ALA-ARGL-ALA- 2-[3-AMINO-2-OXOPYRROLIDIN-1-YL]PROPIONYL - ALA-ARG-ALA-4-AMINOPHENYLACETAMIDE AstraZeneca AB (SE) 2003-06-25 EP disclosed
WO-2002008247-A2 PROCESS FOR THE PREPARATION OF 5-PHENYLPENTANOYL-ALA-ARGL-{2-[3-AMINO-2-OXOPYRROLIDIN-1-YL]PROPIONYL}-ALA-ARG-ALA-4-AMINOPHENYLACETAMIDE ASTRAZENECA AB (SE) 2002-01-31 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-20040101864-A1 Chemical process ASS1, SRM, SRMS NR1H4 1700/4885CNR2 3240/4885HDAC3 2063/4885

“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.