SCHEMBL1163532

SCHEMBL1163532

CCOC(=O)N1CCC(Nc2nc(Cl)ccc2[N+](=O)[O-])CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 5/20 0.54
NOS1 P29475 4/20 0.54
MAPT P10636 6/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
POLB P06746 1/20 0.52
NOS3 P29474 2/20 0.48
HPGD P15428 2/20 0.47
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
MTOR P42345 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
SCHEMBL1693754 0.87 MAPT (0.51) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL1163896 0.86 MAPT (0.50) NOS2NOS1MAPTKDM4EMEN1
SCHEMBL1693347 0.85 MAPT (0.52) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL1693350 0.85 MAPT (0.52) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL1164238 0.83 NOS2 (0.57) NOS2NOS1MAPTKDM4EMEN1
SCHEMBL13506830 0.82 NOS2 (0.62) NOS2NOS1MAPTKDM4EMEN1
SCHEMBL21672285 0.82 MAPT (0.46) MAPTHTTPOLB
SCHEMBL28597832 0.82 MAPT (0.46) MAPTHTTPOLB
SCHEMBL9892523 0.81 NOS2 (0.56) NOS2NOS1MAPTKDM4EMEN1
SCHEMBL4670055 0.80 SMN1; SMN2 (0.59) NOS2NOS1MAPTKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179924-A1 Process for the preparation of cathepsin S inhibitors JANSSEN PHARMACEUTICA NV (US) 2014-06-26 US disclosed
US-20140179924-A1 Process for the preparation of cathepsin S inhibitors JANSSEN PHARMACEUTICA NV (US) 2014-06-26 US disclosed
EP-2464646-B1 PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-05-07 EP disclosed
EP-2464646-B1 PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2014-05-07 EP disclosed
EP-2464646-A1 PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2012-06-20 EP disclosed
US-20120142928-A1 PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-06-07 US disclosed
US-20120142928-A1 PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-06-07 US disclosed
WO-2011019842-A1 PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-02-17 WO disclosed
WO-2011019842-A1 PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2011-02-17 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 (2 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-20140179924-A1 Process for the preparation of cathepsin S inhibitors CTSS, CTSB, CTSF NOS2 3667/4885NOS1 3129/4885MAPT 2838/4885
US-20120142928-A1 PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS CTSS, CTSB, CTSF NOS2 3667/4885NOS1 3129/4885MAPT 2838/4885

“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.