SCHEMBL6628443

SCHEMBL6628443

CC(NC(=O)[C]=O)N1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 3/20 0.35
POLB P06746 1/20 0.35
CTSS P25774 3/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALOX15 P16050 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6396274 0.79 SMN1; SMN2 (0.47) SMN1; SMN2PKMALDH1A1LMNAMAPT
SCHEMBL2697887 0.75 SMN1; SMN2 (0.47) SMN1; SMN2PKMALDH1A1LMNAMAPT
SCHEMBL1070950 0.74 SMN1; SMN2 (0.42) SMN1; SMN2PKMALDH1A1LMNAMAPT
SCHEMBL1070614 0.74 TSHR (0.47) SMN1; SMN2PKMALDH1A1LMNAMAPT
SCHEMBL272483 0.73 SMN1; SMN2 (0.36) SMN1; SMN2PKMALDH1A1LMNAMAPT
SCHEMBL5845946 0.70 SMN1; SMN2 (0.38) SMN1; SMN2PKMALDH1A1MAPTKMT2A
SCHEMBL28644461 0.70 SMN1; SMN2 (0.58) SMN1; SMN2ALDH1A1LMNAMAPTKMT2A
SCHEMBL14166869 0.70 ALDH1A1 (0.52) SMN1; SMN2PKMALDH1A1LMNAMAPT
SCHEMBL947453 0.70 SMN1; SMN2 (0.35) SMN1; SMN2PKMALDH1A1LMNAMAPT
SCHEMBL7277443 0.69 MMP1 (0.42) SMN1; SMN2PKMALDH1A1LMNAMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US claimed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP claimed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed
US-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors AVENTIS PHARMACEUTICALS INC. (US) 2004-07-22 US disclosed
EP-1397340-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-03-17 EP disclosed
WO-2002098850-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS AS CATHEPSIN S INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-12-12 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-20040142999-A1 Novel compounds and compositions as cathepsin inhibitors CTSS, CTSB, CTSE SMN1; SMN2 3350/4885PKM 4622/4885ALDH1A1 4046/4885

“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.