SCHEMBL3901828

SCHEMBL3901828

COc1cc2c(cc1S(=O)(=O)c1ccc(C(O[SiH](C)C)C(C)(C)C)cc1)CNCC2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.38
HTR6 P50406 12/20 0.38
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ALK Q9UM73 2/20 0.34

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
SCHEMBL3907646 0.79 HTR2C (0.53) PNMTHTR6ADRA2AADRA2BADRA2C
SCHEMBL3902011 0.77 ESR2 (0.44)
SCHEMBL10703537 0.74 PKM (0.48) HTR6
SCHEMBL3901830 0.72 HTR6 (0.38) PNMTHTR6ADRA2AADRA2BADRA2C
SCHEMBL10704500 0.72 HTR2C (0.57) PNMTHTR6
SCHEMBL5181064 0.72 CNR1 (0.39) PNMTHTR6ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL3900202 0.72 CNR1 (0.38) PNMTHTR6ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL5194614 0.72 CNR1 (0.38) PNMTHTR6
SCHEMBL5479184 0.71 DRD2 (0.37) HTR6ALK
SCHEMBL5182635 0.70 HTR6 (0.43) PNMTHTR6ALK

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-7504392-B2 2,3,4,5-tetrahydro-1H-3-benzazepines and their medical use GLAXO GROUP LIMITED (GB) 2009-03-17 US disclosed
US-20080269197-A1 antipsychotic agents; phenylsulfonyl compounds; 7-Methoxy-8-(3-phenoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine; schizophrenia GLAXO GROUP LIMITED 2008-10-30 US disclosed
EP-1511727-B1 AROMATIC SULFONES AND THEIR MEDICAL USE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed
EP-1511727-A2 AROMATIC SULFONES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2005-03-09 EP disclosed
WO-2003099786-A2 AROMATIC SULFONES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2003-12-04 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 (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-20080269197-A1 antipsychotic agents; phenylsulfonyl compounds; 7-Methoxy-8-(3-phenoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-3-benzazepine; schizophrenia SIGMAR1, CBR3, CBR1 PNMT 243/4885HTR6 103/4885ADRA2A 900/4885

“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.