SCHEMBL4889865

SCHEMBL4889865

COc1cc2c(cc1S(=O)(=O)c1ccc(COc3ccc(Cl)cc3)cc1)CCN(C)CC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.50
HTR2A P28223 2/20 0.50
HTR2C P28335 2/20 0.50
DRD3 P35462 2/20 0.50
HTR6 P50406 2/20 0.50
REV1 Q9UBZ9 1/20 0.48
HRH3 Q9Y5N1 2/20 0.46
CHRNA7 P36544 2/20 0.45
PKM P14618 3/20 0.44
LMNA P02545 2/20 0.44
DHCR7 Q9UBM7 1/20 0.41
SRD5A1 P18405 1/20 0.41
PDE4B Q07343 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ABCB1 P08183 1/20 0.41

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
Sb-773812 SCHEMBL3896727 1.00 DRD2 (0.50) DRD2HTR2AHTR2CDRD3HTR6
Sb-773812 SCHEMBL29377490 1.00 DRD2 (0.50) DRD2HTR2AHTR2CDRD3HTR6
Hydrochloric Acid SCHEMBL3897702 0.99 DRD2 (0.49) DRD2HTR2AHTR2CDRD3HTR6
Sb-773812 SCHEMBL3893974 0.99 DRD2 (0.49) DRD2HTR2AHTR2CDRD3HTR6
Sb-773812 SCHEMBL5471358 0.93 REV1 (0.45) DRD2HTR2AHTR2CDRD3HTR6
Sb-773812 SCHEMBL4510111 0.93 REV1 (0.45) DRD2HTR2AHTR2CDRD3HTR6
Sb-773812 SCHEMBL5456117 0.93 MMP1 (0.45) DRD2HTR2AHTR2CDRD3HTR6
Sb-773812 SCHEMBL4510120 0.93 REV1 (0.45) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL3897281 0.91 HRH3 (0.46) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL13900930 0.90 REV1 (0.50) DRD2HTR2AHTR2CDRD3HTR6

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 9 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-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

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 DRD2 76/4885HTR2A 428/4885HTR2C 58/4885
US-20050261279-A1 Compounds CBR1, CBR3, OXER1 DRD2 1778/4885HTR2A 3210/4885HTR2C 1249/4885

“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.