SCHEMBL6076065

SCHEMBL6076065

CC[C@H](NC(=O)C(CCCc1ccccc1)CC(=O)N1CCOCC1)C(=O)c1ncco1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.50
CTSL P07711 5/20 0.50
CTSK P43235 3/20 0.50
FAAH O00519 4/20 0.43
CES1 P23141 1/20 0.42
NCEH1 Q6PIU2 1/20 0.42
MMP3 P08254 5/20 0.41
MMP1 P03956 3/20 0.41
MMP9 P14780 1/20 0.41
FKBP1A P62942 1/20 0.41
MMP2 P08253 5/20 0.41
MMP7 P09237 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL6076147 0.93 CTSS (0.49) CTSSCTSLCTSKFAAHCES1
SCHEMBL6076625 0.85 FAAH (0.42) CTSSCTSLFAAHCES1NCEH1
SCHEMBL14562995 0.85 CTSS (0.48) CTSSCTSLCTSKFAAHCES1
SCHEMBL14563109 0.85 CTSS (0.48) CTSSCTSLCTSKMMP3MMP1
SCHEMBL14562977 0.82 CTSS (0.46) CTSSCTSLCTSKMMP3MMP1
SCHEMBL5421398 0.82 CTSS (0.46) CTSSCTSLCTSKMMP3MMP1
SCHEMBL14563000 0.81 CTSS (0.50) CTSSCTSLCTSKMMP3MMP1
SCHEMBL5428498 0.81 CTSS (0.45) CTSSCTSLCTSKFAAHFKBP1A
SCHEMBL14563089 0.81 CTSS (0.45) CTSSCTSLCTSKFAAHFKBP1A
SCHEMBL6077373 0.81 CTSS (0.41) CTSSCTSLCTSKFAAHMMP3

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
US-7030116-B2 Compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2006-04-18 US 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 1/4885CTSL 11/4885CTSK 8/4885

“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.