SCHEMBL5535345

SCHEMBL5535345

O=S(=O)(O)CCCN1CCc2cc(Br)ccc2C1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.48
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PRMT5 O14744 3/20 0.45
ACACB O00763 1/20 0.44
MAPT P10636 2/20 0.44
HTR7 P34969 1/20 0.43
DRD3 P35462 2/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
AKR1C3 P42330 1/20 0.42

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
SCHEMBL5023878 0.95 CARM1 (0.48) CARM1SLC6A2SLC6A4SLC6A3PRMT5
SCHEMBL3245085 0.84 DRD2 (0.51) SLC6A4PRMT5ACACBHTR7DRD3
SCHEMBL5534030 0.84 HTR7 (0.43) SLC6A4HTR7DRD3DRD2
SCHEMBL10231923 0.83 HTR7 (0.42) SLC6A4HTR7DRD3DRD2
SCHEMBL3245091 0.82 SLC6A4 (0.52) SLC6A2SLC6A4SLC6A3PRMT5HTR7
SCHEMBL652976 0.82 HTR7 (0.60) SLC6A4HTR7DRD3DRD2
SCHEMBL3245036 0.81 DRD2 (0.44) HTR7DRD3DRD2
SCHEMBL13678422 0.81 TMEM97 (0.49) HTR7DRD3DRD2MEN1KMT2A
SCHEMBL10231918 0.80 ABCB1 (0.45)
SCHEMBL5541021 0.79 HTR7 (0.43) SLC6A4HTR7DRD3DRD2

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 CARM1 2725/4885SLC6A2 60/4885SLC6A4 599/4885
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 CARM1 2725/4885SLC6A2 60/4885SLC6A4 599/4885

“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.