SCHEMBL353163

SCHEMBL353163

C[C@@H](NCCCS(=O)(=O)O)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 5/20 0.51
OPRM1 P35372 3/20 0.51
ADRA2C P18825 2/20 0.51
SLC6A2 P23975 2/20 0.51
HTR2C P28335 2/20 0.51
SLC6A4 P31645 2/20 0.51
DRD3 P35462 2/20 0.51
MLNR O43193 1/20 0.51
ABCB11 O95342 1/20 0.51
ADRB1 P08588 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
CYP2D6 P10635 1/20 0.51
CHRM1 P11229 1/20 0.51
DRD2 P14416 1/20 0.51
CHRM3 P20309 1/20 0.51
GLRA1 P23415 1/20 0.51
AVPR2 P30518 1/20 0.51
HRH1 P35367 1/20 0.51
MC3R P41968 1/20 0.51
HTT P42858 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
SCHEMBL353739 1.00 CASR (0.51) CASROPRM1ADRA2CSLC6A2HTR2C
SCHEMBL5473697 0.81 CASR (0.57) CASROPRM1ADRA2CSLC6A2HTR2C
SCHEMBL5473700 0.81 CASR (0.57) CASROPRM1ADRA2CSLC6A2HTR2C
SCHEMBL27471933 0.80 CASR (0.55) CASROPRM1ADRA2CSLC6A2HTR2C
SCHEMBL27471934 0.80 CASR (0.55) CASROPRM1ADRA2CSLC6A2HTR2C
SCHEMBL27455481 0.80 CASR (0.57) CASROPRM1ADRA2CSLC6A2HTR2C
SCHEMBL27529860 0.80 CASR (0.57) CASROPRM1ADRA2CSLC6A2HTR2C
SCHEMBL14228755 0.80 CASR (0.57) CASROPRM1ADRA2CSLC6A2HTR2C
SCHEMBL28687713 0.79 CASR (0.56) CASROPRM1ADRA2CSLC6A2HTR2C
SCHEMBL28677762 0.79 CASR (0.60) CASROPRM1ADRA2CSLC6A2HTR2C

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 13 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-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-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-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
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

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 CASR 3186/4885OPRM1 3621/4885ADRA2C 1684/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CASR 3709/4885OPRM1 4221/4885ADRA2C 997/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 CASR 4115/4885OPRM1 4180/4885ADRA2C 974/4885

“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.