SCHEMBL3897281

SCHEMBL3897281

CCOc1cc2c(cc1S(=O)(=O)c1ccc(COc3ccc(Cl)cc3)cc1)CCN(C)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
PKM P14618 2/20 0.44
LMNA P02545 1/20 0.44
DRD2 P14416 2/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
DRD3 P35462 2/20 0.42
HTR6 P50406 2/20 0.42
TSHR P16473 1/20 0.41
REV1 Q9UBZ9 1/20 0.41
SRD5A1 P18405 1/20 0.41
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
RAB9A P51151 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL4889865 0.91 DRD2 (0.50) HRH3PKMLMNADRD2HTR2A
Sb-773812 SCHEMBL29377490 0.91 DRD2 (0.50) HRH3PKMLMNADRD2HTR2A
Sb-773812 SCHEMBL3896727 0.91 DRD2 (0.50) HRH3PKMLMNADRD2HTR2A
Sb-773812 SCHEMBL3893974 0.90 DRD2 (0.49) HRH3PKMLMNADRD2HTR2A
Hydrochloric Acid SCHEMBL3897702 0.90 DRD2 (0.49) HRH3PKMLMNADRD2HTR2A
Sb-773812 SCHEMBL5471358 0.84 REV1 (0.45) HRH3PKMLMNADRD2HTR2A
Sb-773812 SCHEMBL5456117 0.84 MMP1 (0.45) HRH3PKMLMNADRD2HTR2A
Sb-773812 SCHEMBL4510120 0.84 REV1 (0.45) HRH3PKMLMNADRD2HTR2A
Sb-773812 SCHEMBL4510111 0.84 REV1 (0.45) HRH3PKMLMNADRD2HTR2A
SCHEMBL5701302 0.83 DRD2 (0.41) HRH3TDP1PKMLMNADRD2

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-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 claimed
EP-1511727-B1 AROMATIC SULFONES AND THEIR MEDICAL USE GLAXO GROUP LTD (GB) 2007-02-21 EP claimed
US-20050261279-A1 Compounds GLAXO GROUP LIMITED (GB) 2005-11-24 US claimed
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-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 HRH3 303/4885TDP1 3588/4885PKM 3039/4885
US-20050261279-A1 Compounds CBR1, CBR3, OXER1 HRH3 560/4885TDP1 3822/4885PKM 3035/4885

“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.