SCHEMBL5545542

SCHEMBL5545542

COC(=O)c1ccc2c(c1)CCN(CCCS(=O)(=O)O)C2

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.52
DRD3 P35462 9/20 0.46
DRD4 P21917 6/20 0.46
DRD2 P14416 3/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
SLC6A4 P31645 1/20 0.46
HTR7 P34969 1/20 0.46
HRH1 P35367 1/20 0.46
HTR2B P41595 1/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
DRD1 P21728 3/20 0.45

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
SCHEMBL5534084 0.95 DRD3 (0.47) ACACBDRD3DRD4DRD2HTR1A
SCHEMBL3245091 0.83 SLC6A4 (0.52) DRD3DRD2HTR1AHTR2ASLC6A4
SCHEMBL20178679 0.80 ACACB (0.59) ACACBPRMT5WDR77
SCHEMBL3243957 0.80 SLC6A4 (0.51) DRD3DRD2HTR1AHTR2ASLC6A4
SCHEMBL1797089 0.79 ACACB (0.49) ACACBDRD3DRD4DRD2HTR1A
SCHEMBL13255332 0.79 DRD2 (0.52) DRD3DRD2HTR1AHTR2ASLC6A4
SCHEMBL5534030 0.78 HTR7 (0.43) DRD3DRD2HTR1AHTR2ASLC6A4
SCHEMBL3245085 0.78 DRD2 (0.51) ACACBDRD3DRD2HTR1AHTR2A
SCHEMBL5535345 0.78 CARM1 (0.48) ACACBDRD3DRD4DRD2SLC6A4
SCHEMBL3246829 0.78 ABCB1 (0.65)

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-20050048000-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-03-03 US claimed
EP-1303311-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF Neurochem, Inc. (CA) 2003-04-23 EP claimed
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (GI) 2002-08-22 US claimed
WO-2002007781-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF NEUROCHEM INC. (CA) 2002-01-31 WO claimed
US-7311893-B2 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-12-25 US disclosed
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-03-03 US disclosed
EP-1303311-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF Neurochem, Inc. (CA) 2003-04-23 EP disclosed
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (GI) 2002-08-22 US disclosed
WO-2002007781-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF NEUROCHEM INC. (CA) 2002-01-31 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-20050048000-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 ACACB 2318/4885DRD3 3595/4885DRD4 3652/4885
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 ACACB 2318/4885DRD3 3595/4885DRD4 3652/4885

“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.