SCHEMBL6465889

SCHEMBL6465889

CC(C)CCC(=O)N[C@@H](CCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAGLA Q9Y4D2 4/20 0.52
FAAH O00519 1/20 0.52
CES1 P23141 1/20 0.52
CTSS P25774 9/20 0.50
CTSL P07711 4/20 0.50
CTSB P07858 4/20 0.50
CTSK P43235 4/20 0.50
XDH P47989 1/20 0.47
PRSS8 Q16651 2/20 0.46
CMA1 P23946 2/20 0.45
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL6466909 0.91 DAGLA (0.56) DAGLAFAAHCES1CTSSCTSL
SCHEMBL6466589 0.91 DAGLA (0.56) DAGLAFAAHCES1CTSSCTSL
SCHEMBL6466058 0.85 FAAH (0.49) DAGLAFAAHCES1CTSSCTSL
SCHEMBL6467558 0.84 FAAH (0.46) DAGLAFAAHCES1CTSSCTSL
SCHEMBL6475526 0.84 FAAH (0.46) DAGLAFAAHCES1CTSSCTSL
SCHEMBL6471948 0.83 CTSS (0.50) DAGLAFAAHCES1CTSSCTSL
SCHEMBL6464884 0.83 CTSS (0.49) DAGLAFAAHCES1CTSSCTSL
SCHEMBL6463429 0.83 DAGLA (0.47) DAGLAFAAHCES1CTSSCTSL
SCHEMBL6463419 0.82 CTSS (0.48) DAGLAFAAHCES1CTSSCTSL
SCHEMBL6465141 0.82 CTSS (0.48) DAGLAFAAHCES1CTSSCTSL

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed
US-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ DAGLA 2304/4885FAAH 479/4885CES1 272/4885

“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.