SCHEMBL5510964

SCHEMBL5510964

COCCN1CCC[C@H](c2ccc(C(O[C@@H](CC(C)C)C(=O)O)c3ccccc3)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.42
DRD1 P21728 2/20 0.42
DRD4 P21917 2/20 0.42
DRD5 P21918 2/20 0.42
DRD3 P35462 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC6A2 P23975 3/20 0.38
SLC6A4 P31645 3/20 0.38
SLC6A3 Q01959 3/20 0.38
ACHE P22303 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
SCHEMBL5510963 1.00 DRD2 (0.42) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5510970 1.00 DRD2 (0.42) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5514116 0.90 SLC18A3 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL5514109 0.90 SLC18A3 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL5515121 0.88 CTSS (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5515127 0.88 CTSS (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5515117 0.88 CTSS (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5516441 0.88 CYP2D6 (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5516437 0.88 CYP2D6 (0.43) DRD2DRD1DRD4DRD5DRD3
SCHEMBL5516446 0.88 CYP2D6 (0.43) DRD2DRD1DRD4DRD5DRD3

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-7279478-B2 Cathepsin cysteine protease inhibitors MERCK FROSST CANADA & CO. (CA) 2007-10-09 US disclosed
US-20060122268-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-06-08 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-20060122268-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSK DRD2 4689/4885DRD1 4544/4885DRD4 4786/4885

“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.