SCHEMBL3906201

SCHEMBL3906201

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
DRD3 P35462 1/20 0.44
HTR6 P50406 1/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
SLC6A4 P31645 1/20 0.43
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
PKM P14618 2/20 0.42
CHRNA7 P36544 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LMNA P02545 1/20 0.41
NPC1 O15118 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
SCHEMBL3895372 0.85 KMT2A (0.48) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL3907828 0.84 MAOA (0.47) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL3892485 0.84 MAOA (0.47) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL3903162 0.84 MAOB (0.48) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL5471674 0.83 DRD2 (0.41) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL3910405 0.82 ESR2 (0.49) CA1CA2CA7CA9CA14
SCHEMBL3907770 0.81 MAOB (0.52) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL4889865 0.80 DRD2 (0.50) DRD2HTR2AHTR2CDRD3HTR6
SCHEMBL6249081 0.80 DRD2 (0.39) DRD2HTR2AHTR2CDRD3HTR6
Sb-773812 SCHEMBL29377490 0.80 DRD2 (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 8 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

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.