SCHEMBL5516342

SCHEMBL5516342

NC(=O)OCCCC(=O)c1nc2ccccc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.55
HTR7 P34969 9/20 0.55
HTR1A P08908 8/20 0.55
SLC6A4 P31645 7/20 0.55
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
HTR2A P28223 9/20 0.51
HTR2C P28335 2/20 0.51
HRH1 P35367 2/20 0.49
SLC6A2 P23975 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49

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
SCHEMBL4049744 0.92 NPC1 (0.56) DRD2HTR7HTR1ASLC6A4NPC1
SCHEMBL28172146 0.80 DRD2 (0.62) DRD2HTR7HTR1ASLC6A4NPC1
Bromide SCHEMBL28956727 0.80 DRD2 (0.62) DRD2HTR7HTR1ASLC6A4NPC1
SCHEMBL19043117 0.79 DRD2 (0.61) DRD2HTR7HTR1ASLC6A4NPC1
SCHEMBL28919881 0.78 DRD2 (0.63) DRD2HTR7HTR1ASLC6A4NPC1
SCHEMBL19287061 0.77 DRD2 (0.58) DRD2HTR7HTR1ASLC6A4NPC1
SCHEMBL3752137 0.77 DRD2 (0.62) DRD2HTR7HTR1ASLC6A4NPC1
SCHEMBL28919882 0.77 DRD2 (0.62) DRD2HTR7HTR1ASLC6A4NPC1
SCHEMBL1668218 0.77 DRD2 (0.62) DRD2HTR7HTR1ASLC6A4NPC1
SCHEMBL30093447 0.77 DRD2 (0.62) DRD2HTR7HTR1ASLC6A4NPC1

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 5 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
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 US claimed
EP-1744755-B1 COMPOUNDS AND COMPOSITIONS AS CATHEPSIN S INHIBITORS IRM LLC (BM) 2012-12-05 EP disclosed
CN-1976710-B Compounds and compositions as cathepsin S inhibitors IRM LLC 2011-03-30 CN disclosed
US-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors IRM LLC (BM) 2007-10-04 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-20070232606-A1 Compounds and Compositions as Cathepsin S Inhibitors CTSS, CTSB, CTSF DRD2 4749/4885HTR7 3481/4885HTR1A 3892/4885

“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.