SCHEMBL6468670

SCHEMBL6468670

O=C(CCN1CCOCC1)NC(CCc1ccccc1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
CES1 P23141 1/20 0.46
DAGLA Q9Y4D2 1/20 0.46
PRSS8 Q16651 2/20 0.46
LMNA P02545 1/20 0.44
CYP2C19 P33261 1/20 0.44
CTSS P25774 4/20 0.44
CTSB P07858 3/20 0.44
CTSL P07711 2/20 0.44
CTSK P43235 2/20 0.44
ALDH1A1 P00352 2/20 0.42
TMPRSS11D O60235 1/20 0.41
CTRL P40313 1/20 0.41
CMA1 P23946 2/20 0.41
PSMB5 P28074 4/20 0.41
PSMB11 A5LHX3 1/20 0.41
PSMD11 O00231 1/20 0.41
PSMD12 O00232 1/20 0.41
PSMD14 O00487 1/20 0.41
PSMA7 O14818 1/20 0.41

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 0.85 DAGLA (0.56) FAAHCES1DAGLAPRSS8CTSS
SCHEMBL6466589 0.85 DAGLA (0.56) FAAHCES1DAGLAPRSS8CTSS
SCHEMBL6465889 0.82 DAGLA (0.52) FAAHCES1DAGLAPRSS8CTSS
SCHEMBL6464884 0.80 CTSS (0.49) FAAHCES1DAGLAPRSS8CTSS
SCHEMBL6795802 0.79 CTSS (0.61) CTSSCTSBCTSLCTSKTMPRSS11D
SCHEMBL7030257 0.79 CTSS (0.61) CTSSCTSBCTSLCTSKTMPRSS11D
SCHEMBL6466058 0.79 FAAH (0.49) FAAHCES1DAGLAPRSS8CTSS
SCHEMBL6463419 0.79 CTSS (0.48) FAAHCES1DAGLAPRSS8CTSS
SCHEMBL6465141 0.79 CTSS (0.48) FAAHCES1DAGLAPRSS8CTSS
SCHEMBL6468629 0.79 CTSS (0.48) FAAHCES1DAGLAPRSS8CTSS

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 5 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
EP-1161422-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2001-12-12 EP disclosed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ FAAH 479/4885CES1 272/4885DAGLA 2304/4885

“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.