SCHEMBL3893409

SCHEMBL3893409

CCOc1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.75
ESR2 Q92731 5/20 0.75
ABHD6 Q9BV23 10/20 0.58
MGLL Q99685 5/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
ACACB O00763 1/20 0.47
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL3895230 0.86 ESR1 (1.00) ESR1ESR2ABHD6NPC1RAB9A
SCHEMBL14781510 0.81 ESR2 (0.67) ESR1ESR2ABHD6MGLLNPC1
SCHEMBL13334504 0.81 ESR1 (0.56) ESR1ESR2ABHD6NPC1RAB9A
SCHEMBL31164691 0.81 ESR1 (0.90) ESR1ESR2ABHD6NPC1RAB9A
SCHEMBL21392851 0.80 KMT2A (0.50) ESR1ESR2ABHD6NPC1RAB9A
SCHEMBL7854911 0.79 ESR1 (0.70) ESR1ESR2ABHD6ACACB
SCHEMBL10312979 0.79 HRH3 (0.67) NPC1RAB9AKMT2AACACB
SCHEMBL14677183 0.79 ESR2 (0.59) ESR1ESR2ABHD6NPC1RAB9A
SCHEMBL14100712 0.79 ESR2 (0.72) ESR1ESR2ABHD6NPC1RAB9A
SCHEMBL7847325 0.79 ESR1 (0.85) ESR1ESR2ABHD6HDAC6

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 6 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-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 ESR1 312/4885ESR2 324/4885ABHD6 4171/4885
US-20050261279-A1 Compounds CBR1, CBR3, OXER1 ESR1 45/4885ESR2 54/4885ABHD6 4591/4885

“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.