SCHEMBL3907770

SCHEMBL3907770

COc1cc2c(cc1S(=O)(=O)c1ccc(C=O)cc1)CCN(C)CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.52
DRD2 P14416 3/20 0.45
DRD3 P35462 3/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR6 P50406 1/20 0.45
MAOA P21397 2/20 0.44
SLC6A4 P31645 1/20 0.44
DRD1 P21728 3/20 0.43
DRD5 P21918 3/20 0.43
DRD4 P21917 2/20 0.43
PKM P14618 2/20 0.43
ALDH1A1 P00352 1/20 0.42
ALDH1A3 P47895 1/20 0.42
PDE4D Q08499 1/20 0.41
CA7 P43166 2/20 0.40
CYP19A1 P11511 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39

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
SCHEMBL3903162 0.85 MAOB (0.48) MAOBDRD2DRD3HTR2AHTR2C
SCHEMBL3892485 0.85 MAOA (0.47) MAOBDRD2DRD3HTR2AHTR2C
SCHEMBL3907828 0.85 MAOA (0.47) MAOBDRD2DRD3HTR2AHTR2C
SCHEMBL3906201 0.81 DRD2 (0.44) MAOBDRD2DRD3HTR2AHTR2C
SCHEMBL3895372 0.81 KMT2A (0.48) MAOBDRD2DRD3HTR2AHTR2C
SCHEMBL3900151 0.80 ALDH1A1 (0.38) MAOBDRD2DRD3HTR2AHTR2C
SCHEMBL3894400 0.80 DRD1 (0.46) MAOBDRD2DRD3HTR2AHTR2C
SCHEMBL6510748 0.80 HTR6 (0.46) MAOBDRD2DRD3HTR2AHTR2C
SCHEMBL6500880 0.80 LMNA (0.51) DRD2DRD3HTR6DRD1DRD5
SCHEMBL6502583 0.80 LMNA (0.48) DRD2DRD3HTR2AHTR2CHTR6

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 11 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-7504392-B2 2,3,4,5-tetrahydro-1H-3-benzazepines and their medical use GLAXO GROUP LIMITED (GB) 2009-03-17 US disclosed
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
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
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
US-20050261279-A1 Compounds GLAXO GROUP LIMITED (GB) 2005-11-24 US disclosed
EP-1511727-A2 AROMATIC SULFONES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2005-03-09 EP disclosed
WO-2005016891-A1 7-PHENYLSULFONYL-TETRAHYDRO-3-BENZAZEPINE DERIVATIVES AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-24 WO 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 (2 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 MAOB 291/4885DRD2 76/4885DRD3 21/4885
US-20050261279-A1 Compounds CBR1, CBR3, OXER1 MAOB 2012/4885DRD2 1778/4885DRD3 468/4885

“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.