SCHEMBL5534084

SCHEMBL5534084

COC(=O)c1ccc2c(c1)CN(CCCS(=O)(=O)O)CC2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 15/20 0.47
DRD2 P14416 9/20 0.47
ACACB O00763 1/20 0.47
DRD4 P21917 6/20 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
SCHEMBL5545542 0.95 ACACB (0.52) DRD3DRD2ACACBDRD4HTR1A
SCHEMBL13255332 0.83 DRD2 (0.52) DRD3DRD2HTR1AHTR2ASLC6A4
Hydrochloric Acid SCHEMBL30782292 0.81 ACACB (0.50) DRD3DRD2ACACBDRD4HTR1A
Hydrochloric Acid SCHEMBL27143005 0.81 ACACB (0.50) DRD3DRD2ACACBDRD4HTR1A
SCHEMBL16063012 0.81 SIGMAR1 (0.47) DRD3DRD2HTR7
SCHEMBL3245091 0.79 SLC6A4 (0.52) DRD3DRD2HTR1AHTR2ASLC6A4
SCHEMBL3246829 0.78 ABCB1 (0.65)
SCHEMBL5541021 0.78 HTR7 (0.43) DRD3DRD2HTR1AHTR2ASLC6A4
SCHEMBL5023878 0.78 CARM1 (0.48) DRD3DRD2DRD4SLC6A4HTR7
SCHEMBL5541066 0.77 HDAC1 (0.50) HTR1A

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 DRD3 3595/4885DRD2 4032/4885ACACB 2318/4885
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 DRD3 3595/4885DRD2 4032/4885ACACB 2318/4885

“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.