SCHEMBL3245091

SCHEMBL3245091

COc1ccc2c(c1)CCN(CCCS(=O)(=O)O)C2

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.52
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
HTR2A P28223 1/20 0.52
HTR7 P34969 1/20 0.52
HRH1 P35367 1/20 0.52
DRD3 P35462 1/20 0.52
HTR2B P41595 1/20 0.52
PRMT5 O14744 1/20 0.52
SLC6A2 P23975 3/20 0.52
SLC6A3 Q01959 3/20 0.52
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL3243957 0.96 SLC6A4 (0.51) SLC6A4HTR1ADRD2HTR2AHTR7
SCHEMBL13255332 0.95 DRD2 (0.52) SLC6A4HTR1ADRD2HTR2AHTR7
SCHEMBL3246829 0.85 ABCB1 (0.65)
SCHEMBL5545542 0.83 ACACB (0.52) SLC6A4HTR1ADRD2HTR2AHTR7
SCHEMBL5534030 0.82 HTR7 (0.43) SLC6A4HTR1ADRD2HTR2AHTR7
SCHEMBL5535345 0.82 CARM1 (0.48) SLC6A4DRD2HTR7DRD3PRMT5
SCHEMBL3245085 0.82 DRD2 (0.51) SLC6A4HTR1ADRD2HTR2AHTR7
SCHEMBL3173969 0.82 ABCB1 (0.68) SLC6A4DRD2DRD3SLC6A2SLC6A3
SCHEMBL22099626 0.82 SLC6A2 (0.55) SLC6A4DRD2DRD3SLC6A2SLC6A3
SCHEMBL4384644 0.82 TDP1 (0.59) SLC6A4SLC6A2SLC6A3TDP1

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1227803-B1 COMPOUNDS FOR INHIBITING IAPP-ASSOCIATED AMYLOID DEPOSITS BELLUS HEALTH INTERNATIONAL LTD (CH) 2010-05-05 EP claimed
EP-1276483-B1 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES BELLUS HEALTH INT LTD (CH) 2009-09-02 EP claimed
EP-1609467-A1 Compositions for treating diseases associated with glycosaminoglycan-associated molecular interactions Neurochem (International) Limited (CH) 2005-12-28 EP claimed
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-03-03 US claimed
US-6562836-B1 Islet amyloid polypeptide (IAPP) is known to be capable of forming fibrils which are deposited in the pancreas of patients wtih type II diabetes QUEEN'S UNIVERSITY OF KINGSTON (CA) 2003-05-13 US claimed
EP-1303311-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF Neurochem, Inc. (CA) 2003-04-23 EP claimed
US-20020193395-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions QUEEN'S UNIVERSITY 2002-12-19 US 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-6310073-B1 ADMINISTERING TO SUBJECT THERAPEUTICALLY EFFECTIVE AMOUNT OF 3-AMINO-1-PROPANESULFONIC ACID, OR PHARMACEUTICALLY ACCEPTABLE SALT OR ESTER THEREOF, SUCH THAT GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTION IS MODULATED AND CONDITION IS TREATED QUEEN'S UNIVERSITY AT KINGSTON (CA) 2001-10-30 US claimed
EP-1100487-A2 COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTIONS Neurochem, Inc. (CA) 2001-05-23 EP claimed
WO-2000006133-A2 COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTIONS NEUROCHEM, INC. (CA) 2000-02-10 WO claimed
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
EP-1646659-B1 METHOD FOR THE PREPARATION OF 1,3-PROPANE DISULFONIC ACID COMPOUNDS KIACTA S RL (CH) 2014-05-14 EP disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
WO-2002007781-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF NEUROCHEM INC. (CA) 2002-01-31 WO disclosed
US-6310073-B1 ADMINISTERING TO SUBJECT THERAPEUTICALLY EFFECTIVE AMOUNT OF 3-AMINO-1-PROPANESULFONIC ACID, OR PHARMACEUTICALLY ACCEPTABLE SALT OR ESTER THEREOF, SUCH THAT GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTION IS MODULATED AND CONDITION IS TREATED QUEEN'S UNIVERSITY AT KINGSTON (CA) 2001-10-30 US disclosed
EP-1100487-A2 COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTIONS Neurochem, Inc. (CA) 2001-05-23 EP disclosed
WO-2000006133-A2 COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH GLYCOSAMINOGLYCAN-ASSOCIATED MOLECULAR INTERACTIONS NEUROCHEM, INC. (CA) 2000-02-10 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 (5 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 SLC6A4 599/4885HTR1A 3414/4885DRD2 4032/4885
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 SLC6A4 599/4885HTR1A 3414/4885DRD2 4032/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 SLC6A4 2439/4885HTR1A 2510/4885DRD2 4826/4885
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 SLC6A4 2439/4885HTR1A 2510/4885DRD2 4826/4885
US-20020193395-A1 Methods and compositions to treat glycosaminoglycan-associated molecular interactions HPSE, CSGALNACT1, CD44 SLC6A4 3626/4885HTR1A 3168/4885DRD2 4861/4885

“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.