SCHEMBL13818346

SCHEMBL13818346

CC(C)C1CCCCN(Cc2ccc(-c3ccccc3)cc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 13/20 0.48
▸ GRM2 Q14416 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.44
▸ APP P05067 1/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ ENPP2 Q13822 1/20 0.42

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
SCHEMBL16543692 0.88 L3MBTL1 (0.49) L3MBTL1APPNPY1R
SCHEMBL17138602 0.82 ELANE (0.46) L3MBTL1
SCHEMBL13824487 0.82 SRC (0.48) SRCGRM2L3MBTL1HRH3ENPP2
SCHEMBL5220521 0.81 SRC (0.50) SRCGRM2L3MBTL1HRH3ENPP2
Hydrochloric Acid SCHEMBL4491429 0.80 SRC (0.49) SRCGRM2L3MBTL1HRH3ENPP2
SCHEMBL7950295 0.76 SRC (0.67) SRCAPPNPY1R
SCHEMBL12844868 0.75 L3MBTL1 (0.54) L3MBTL1APPNPY1R
SCHEMBL20570052 0.73 ENPP2 (0.50) SRCGRM2L3MBTL1HRH3ENPP2
SCHEMBL24938208 0.73 L3MBTL1 (0.84) GRM2L3MBTL1HRH3ENPP2
SCHEMBL27109640 0.72 SRC (0.64) SRCAPPNPY1R

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
US-7550453-B2 Anticancer agents; colon cancer or hepatocellular carcinoma; analogs of bengamide where the caprolactam ring is changed and/or substituted e.g. N-(2-Methyl-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl)-(E)-(2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamide AVENTIS PHARMA SA (FR) 2009-06-23 — — US disclosed
US-7550453-B2 Anticancer agents; colon cancer or hepatocellular carcinoma; analogs of bengamide where the caprolactam ring is changed and/or substituted e.g. N-(2-Methyl-3-oxo-2,3,4,5-tetrahydro-1H-2-benzazepin-4-yl)-(E)-(2R,3R,4S,5R)-3,4,5-trihydroxy-2-methoxy-8,8-dimethylnon-6-enamide AVENTIS PHARMA SA (FR) 2009-06-23 — — US disclosed
US-20070244087-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2007-10-18 — — US disclosed
US-20070244087-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF AVENTIS PHARMA S.A. (FR) 2007-10-18 — — 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-20070244087-A1 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYLAMIDES, PREPARATION THEREOF, COMPOSITIONS CONTAINING THEM AND USE THEREOF HCCS, ALKBH2, ALKBH3 SRC 716/4885GRM2 3044/4885L3MBTL1 3909/4885

“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.

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