SCHEMBL3025283

SCHEMBL3025283

Cc1ccc(S(=O)(=O)OCC2CNCCO2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.47
SLC6A4 P31645 4/20 0.47
SLC6A2 P23975 2/20 0.47
HTR2B P41595 2/20 0.47
SLC6A3 Q01959 2/20 0.47
ADRB2 P07550 1/20 0.47
HTR1A P08908 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA2C P18825 1/20 0.47
HRH1 P35367 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
HTR3A P46098 1/20 0.42
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
SLC12A2 P55011 1/20 0.39
SLC12A5 Q9H2X9 1/20 0.39
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL18052240 1.00 HTR2A (0.47) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL18052179 1.00 HTR2A (0.47) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL4926513 0.87 SLC6A2 (0.40) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL11549936 0.86 PRMT5 (0.41) PRMT5WDR77SLC12A2SLC12A5ALDH1A1
SCHEMBL9842215 0.83 PRMT5 (0.54) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL19285370 0.83 SLC12A2 (0.47) PRMT5WDR77SLC12A2SLC12A5ALDH1A1
SCHEMBL283511 0.83 SLC12A2 (0.47) PRMT5WDR77SLC12A2SLC12A5ALDH1A1
SCHEMBL19285120 0.83 SLC12A2 (0.47) PRMT5WDR77SLC12A2SLC12A5ALDH1A1
SCHEMBL30567848 0.81 CRBN (0.43) HTR2ASLC6A4SLC6A2HTR2BSLC6A3
SCHEMBL439062 0.79 PRMT5 (0.54) PRMT5WDR77SLC12A2SLC12A5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210640-A1 BENZAMIDE DERIVATIVES, THEIR PREPARATION AND USES IN MEDICINE THEREOF JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2010-08-19 US disclosed
EP-2189451-A1 BENZAMIDE DERIVATIVES, THEIR PREPARATION AND USES IN MEDICINE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2010-05-26 EP disclosed
EP-1050534-B1 2,3-methano-amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2001-12-05 EP disclosed
US-6288077-B1 2-AZABICYCLO(3.1.0)HEXANE-1,2-DICARBOXYLIC AMIDE OR 2-AZABICYCLO(4.1.0)HEPTANE-1,2-DICARBOXYLIC AMIDE DERIVATIVE; TRYPSIN-LIKE SERINE PROTEASE INHIBITOR; ANTICOAGULANTS ADIR ET COMPAGNIE (FR) 2001-09-11 US disclosed
EP-1050534-A1 2,3-methano-amino acid derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-11-08 EP 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 (1 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-20100210640-A1 BENZAMIDE DERIVATIVES, THEIR PREPARATION AND USES IN MEDICINE THEREOF HTR4, HTR5A, TPH1 HTR2A 11/4885SLC6A4 22/4885SLC6A2 417/4885

“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.