SCHEMBL6076070

SCHEMBL6076070

CCC(NC(=O)C(CCCc1ccccc1)[C@H](F)C(=O)N1CCOCC1)C(=O)c1nc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSS P25774 19/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
FAAH O00519 1/20 0.42
CES1 P23141 1/20 0.42
DAGLA Q9Y4D2 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
SCHEMBL8361720 1.00 CTSS (0.44) CTSSCYP3A4CYP2C9FAAHCES1
SCHEMBL6076901 0.95 PRSS8 (0.42) CTSSCYP3A4CYP2C9FAAHCES1
SCHEMBL8362429 0.95 PRSS8 (0.42) CTSSCYP3A4CYP2C9FAAHCES1
SCHEMBL14563015 0.92 CTSS (0.46) CTSSCYP3A4CYP2C9FAAHCES1
SCHEMBL6076373 0.85 CTSS (0.39) CTSS
SCHEMBL14562995 0.84 CTSS (0.48) CTSSCYP3A4CYP2C9FAAHCES1
SCHEMBL6077488 0.84 PRSS8 (0.43) CTSSCYP3A4CYP2C9FAAHCES1
SCHEMBL14562955 0.82 CTSS (0.42) CTSSCYP3A4CYP2C9
SCHEMBL12196349 0.80 CTSS (0.56) CTSSCYP3A4CYP2C9
SCHEMBL6076625 0.77 FAAH (0.42) CTSSFAAHCES1

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-7030116-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-18 US disclosed
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP disclosed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO disclosed
US-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACUETICALS INC. 2003-06-05 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-20030105099-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE CTSS 1/4885CYP3A4 1919/4885CYP2C9 1937/4885

“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.