SCHEMBL4052147

SCHEMBL4052147

O=C([CH]Cc1ccccc1)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.56
FKBP1A P62942 2/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
AKR1C3 P42330 2/20 0.51
HTT P42858 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.49
USP2 O75604 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MMP8 P22894 1/20 0.48
PHGDH O43175 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL4422938 0.85 NPC1 (0.53) RAB9AMEN1KMT2AALDH1A1TSHR
SCHEMBL7397120 0.84 RAB9A (0.61) RAB9AFKBP1AMEN1KMT2ANPSR1
SCHEMBL7397122 0.84 RAB9A (0.61) RAB9AFKBP1AMEN1KMT2ANPSR1
SCHEMBL5527875 0.80 RAB9A (0.49) RAB9AFKBP1AMEN1KMT2ANPSR1
SCHEMBL27463118 0.79 LMNA (0.48) RAB9AMEN1KMT2ANPSR1HTT
SCHEMBL6164707 0.79 CYP1A2 (0.45) RAB9AFKBP1AMEN1KMT2ACYP2C9
SCHEMBL6161203 0.78 MAPK1 (0.40) RAB9AMEN1KMT2AALDH1A1MAPT
SCHEMBL6053020 0.77 GAA (0.43) RAB9AMEN1KMT2ACYP2C19ALDH1A1
SCHEMBL7360691 0.76 SMN1; SMN2 (0.59) RAB9AKMT2ACYP2C19HTTALDH1A1
SCHEMBL8414682 0.75 FUCA1 (0.41) RAB9AALDH1A1MAPTLMNANPC1

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 RAB9A 480/4885FKBP1A 1646/4885MEN1 3478/4885

“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.