SCHEMBL5558740

SCHEMBL5558740

CC(C)(C)ON(C=O)C1Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.39
HTR1A P08908 1/20 0.34
NPY5R Q15761 2/20 0.34
IDO1 P14902 2/20 0.32
HTR2A P28223 5/20 0.32
HTR2C P28335 5/20 0.32
HRH3 Q9Y5N1 5/20 0.32
HTR2B P41595 4/20 0.32
CHRM1 P11229 1/20 0.32
DRD2 P14416 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
MTOR P42345 1/20 0.32
HTT P42858 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL5730541 0.75 KDM1A (0.33) HTR2AHTR2CHRH3HTR2BEPHX2
SCHEMBL6630657 0.74 HTR2A (0.30) HTR2AHRH1
SCHEMBL9382372 0.73 DRD3 (0.34) DRD3
SCHEMBL29255739 0.73
SCHEMBL14626044 0.71 DRD3 (0.46) DRD3HTR1ANPY5RHTR2AHTR2C
SCHEMBL9387685 0.71 ALDH1A1 (0.32) DRD3
SCHEMBL7468310 0.70 ACHE (0.49) DRD3HTR2AHTR2CHTR2BDRD2
SCHEMBL2497037 0.69
SCHEMBL7475141 0.69 GAA (0.48)
SCHEMBL3313998 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197577-A1 Inhibitors of anthrax lethal factor CENGENT THERAPEUTICS (US) 2007-08-23 US disclosed
WO-2005027856-A2 INHIBITORS OF ANTHRAX LETHAL FACTOR CENGENT THERAPEUTICS (US) 2005-03-31 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-20070197577-A1 Inhibitors of anthrax lethal factor APAF1, ANTXR2, LITAF DRD3 4863/4885HTR1A 4846/4885NPY5R 4570/4885

“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.