SCHEMBL3955574

SCHEMBL3955574

[CH2]C(C(=O)N1CCOCC1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.46
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
TP53 P04637 2/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.39
DPP4 P27487 3/20 0.37
DPP7 Q9UHL4 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL3951101 1.00 ALDH1A1 (0.55) ALDH1A1MAPTKMT2ANPSR1KDM4E
SCHEMBL3958979 0.98 ALDH1A1 (0.52) ALDH1A1MAPTKMT2ANPSR1KDM4E
SCHEMBL5520698 0.98 ALDH1A1 (0.52) ALDH1A1MAPTKMT2ANPSR1KDM4E
SCHEMBL5483365 0.81 ALDH1A1 (0.56) ALDH1A1MAPTKMT2ANPSR1KDM4E
SCHEMBL8396956 0.79 ALDH1A1 (0.55) ALDH1A1MAPTKMT2ANPSR1KDM4E
SCHEMBL8396251 0.79 ALDH1A1 (0.55) ALDH1A1MAPTKMT2ANPSR1KDM4E
SCHEMBL8225692 0.79 DPP4 (0.59) ALDH1A1DPP4DPP7
SCHEMBL3951076 0.79 ALDH1A1 (0.55) ALDH1A1MAPTKMT2ANPSR1KDM4E
SCHEMBL8394923 0.77 ALDH1A1 (0.52) ALDH1A1MAPTKMT2ANPSR1KDM4E
SCHEMBL11937899 0.76 ALDH1A1 (0.55) ALDH1A1MAPTKMT2ANPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 EP claimed
EP-1744755-A4 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2009-07-15 EP claimed
JP-2007535568-A 2007-12-06 JP claimed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 US claimed
EP-1744755-A2 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM, LLC (BM) 2007-01-24 EP claimed
WO-2005107464-A2 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2005-11-17 WO claimed
EP-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 EP disclosed
EP-1744755-A4 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2009-07-15 EP disclosed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 US disclosed
EP-1744755-A2 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM, LLC (BM) 2007-01-24 EP disclosed
WO-2005107464-A2 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2005-11-17 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-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSF ALDH1A1 3425/4885MAPT 1035/4885KMT2A 4050/4885

“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.