SCHEMBL3894249

SCHEMBL3894249

CCOc1cc2c(cc1S(=O)(=O)c1ccc(F)cc1)CCN(C)CC2

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
LMNA P02545 5/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 5/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6500345 0.93 MAPT (0.51) POLBLMNAPKMKDM4ESMN1; SMN2
SCHEMBL3903162 0.86 MAOB (0.48) PKMKDM4EHTR2CKMT2AMEN1
SCHEMBL3893442 0.83 HTR6 (0.49) HTR2CHTR2BKMT2AMEN1
SCHEMBL3896733 0.82 HTR2C (0.50) LMNAKDM4EHTTSMN1; SMN2HTR2C
SCHEMBL3895372 0.82 KMT2A (0.48) POLBPKMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL3892305 0.81 DRD2 (0.41) HTR2CHTR2BKMT2A
SCHEMBL6248353 0.80 ALDH1A1 (0.45) POLBLMNAPKMKDM4EMAPT
SCHEMBL6509242 0.80 MAOB (0.54) LMNAPKMKDM4EMAPTTSHR
SCHEMBL3897281 0.80 HRH3 (0.46) POLBLMNAPKMHTTSMN1; SMN2
SCHEMBL3895905 0.79 HTR2C (0.43) LMNAHTTSMN1; SMN2ALDH1A1TSHR

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 10 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-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 POLB 3864/4885LMNA 3348/4885PKM 3039/4885
US-20050261279-A1 Compounds CBR1, CBR3, OXER1 POLB 2956/4885LMNA 2085/4885PKM 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.