SCHEMBL354764

SCHEMBL354764

COc1ccc(OC)c2c1CCC2NCCCS(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.40
MTNR1B P49286 8/20 0.40
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
ADRA1A P35348 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HTR4 Q13639 1/20 0.35

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
SCHEMBL10232559 0.92 MTNR1A (0.36) MTNR1AMTNR1BDRD2DRD3HTR4
SCHEMBL356325 0.83 CA1 (0.50) DRD2DRD3
SCHEMBL354581 0.82 ABCB1 (0.50)
SCHEMBL356560 0.78 CA1 (0.56) MTNR1AMTNR1B
SCHEMBL355826 0.75 GRIN2B (0.47) MTNR1AMTNR1BDRD2DRD3
SCHEMBL10232586 0.74 PDE4A (0.51) MTNR1AMTNR1BDRD2
SCHEMBL354357 0.72 MAOB (0.41)
SCHEMBL10230666 0.70 MAOA (0.60) ADRA1A
SCHEMBL917662 0.70 MAOA (0.60) ADRA1A
SCHEMBL918896 0.70 MAOA (0.60) ADRA1A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
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-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 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-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
US-8044100-B2 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH INC. (CA) 2011-10-25 US disclosed
EP-1836161-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-26 EP disclosed
US-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-10-05 US disclosed
WO-2006085149-A2 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-08-17 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 (3 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-20060223855-A1 reduces or inhibits amyloid fibril formation, organ specific dysfunction (e.g., neurodegeneration), or cellular toxicity APP, IAPP, BACE1 MTNR1A 1921/4885MTNR1B 1692/4885DRD2 4534/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 MTNR1A 1393/4885MTNR1B 1192/4885DRD2 4826/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 MTNR1A 1573/4885MTNR1B 1282/4885DRD2 4762/4885

“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.