SCHEMBL930105

SCHEMBL930105

Nc1ccc2[nH]c3c(c2c1)CCN(CCCS(=O)(=O)O)C3

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 5/20 0.51
SIGMAR1 Q99720 1/20 0.47
HTR1A P08908 1/20 0.47
BAZ2B Q9UIF8 1/20 0.47
ACHE P22303 3/20 0.45
GRIN1 Q05586 3/20 0.45
GRIN2A Q12879 3/20 0.45
GRIN2D O15399 2/20 0.45
GRIN3B O60391 2/20 0.45
GRIN2C Q14957 2/20 0.45
GRIN3A Q8TCU5 2/20 0.45
PARP1 P09874 1/20 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
Hydrochloric Acid SCHEMBL5782954 0.99 GRIN2B (0.50) GRIN2BSIGMAR1HTR1ABAZ2BACHE
SCHEMBL5539610 0.97 GRIN2B (0.53) GRIN2BSIGMAR1HTR1ABAZ2BACHE
SCHEMBL927161 0.87 GRIN2B (0.51) GRIN2BSIGMAR1HTR1ABAZ2BACHE
SCHEMBL16316063 0.87 ACHE (0.61) GRIN2BSIGMAR1HTR1ABAZ2BACHE
SCHEMBL12942834 0.85 GRIN2B (0.52) GRIN2BSIGMAR1HTR1AACHEGRIN1
SCHEMBL10231045 0.85 GRIN2B (0.52) GRIN2BSIGMAR1HTR1APARP1
SCHEMBL10277785 0.85 GRIN2B (0.47) GRIN2BSIGMAR1HTR1AACHEGRIN1
SCHEMBL918624 0.84 HDAC1 (0.57) GRIN2BHTR1ABAZ2BACHEGRIN1
SCHEMBL12226577 0.84 GRIN2B (0.48) GRIN2BSIGMAR1HTR1AACHEGRIN1
SCHEMBL929864 0.84 SIGMAR1 (0.67) GRIN2BSIGMAR1HTR1APARP1

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 26 patents — showing the first 20. 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-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
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-8642801-B2 Methods and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-02-04 US disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
US-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF KONG XIANQI 2011-01-27 US disclosed
US-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 US disclosed
US-7253306-B2 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2007-08-07 US disclosed
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2007-01-11 US disclosed
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-06-30 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 (8 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-20110021813-A1 PHARMACEUTICAL DRUG CANDIDATES AND METHODS FOR PREPARATION THEREOF MPST, TTR, STS GRIN2B 4170/4885SIGMAR1 3298/4885HTR1A 3124/4885
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 GRIN2B 4427/4885SIGMAR1 2251/4885HTR1A 3414/4885
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 GRIN2B 4427/4885SIGMAR1 2251/4885HTR1A 3414/4885
US-20050143462-A1 Pharmaceutical drug candidates and methods for preparation thereof MPST, TTR, STS GRIN2B 4170/4885SIGMAR1 3298/4885HTR1A 3124/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 GRIN2B 1644/4885SIGMAR1 3888/4885HTR1A 2510/4885
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 GRIN2B 1644/4885SIGMAR1 3888/4885HTR1A 2510/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 GRIN2B 1832/4885SIGMAR1 3877/4885HTR1A 2489/4885
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 GRIN2B 1644/4885SIGMAR1 3888/4885HTR1A 2510/4885

“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.