SCHEMBL1995975

SCHEMBL1995975

COc1cc2c(ccn2S(=O)(=O)c2c(F)cccc2F)c2c1OCCN(C(=O)OC(C)(C)C)C2C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.37
TGFBR1 P36897 1/20 0.33
FABP4 P15090 2/20 0.33
BCHE P06276 1/20 0.33
RORC P51449 2/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 4/20 0.32
PKLR P30613 4/20 0.32
ALDH1A1 P00352 1/20 0.32
ALK Q9UM73 1/20 0.32

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
SCHEMBL1998511 0.87 FABP4 (0.37) HTR6TGFBR1FABP4BCHENR1H2
SCHEMBL1999848 0.86 HTR6 (0.39) HTR6TGFBR1FABP4BCHENR1H2
SCHEMBL1997745 0.85 TSHR (0.39) ALDH1A1
SCHEMBL2005904 0.85 PKLR (0.37) HTR6FABP4BCHENR1H2NR1H3
SCHEMBL1997934 0.84 ALDH1A1 (0.36) HTR6POLBALDH1A1
SCHEMBL1998757 0.78 HTR6 (0.41) HTR6FABP4PKMPKLRALDH1A1
Trifluoroacetic Acid SCHEMBL2002913 0.77 HTR6 (0.37) HTR6FABP4
SCHEMBL4418093 0.76 FABP4 (0.40) HTR6FABP4
SCHEMBL1995411 0.74 MCOLN3 (0.37) HTR6FABP4RORCPOLBALDH1A1
SCHEMBL1998005 0.74 TSHR (0.39) ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960374-B2 e.g. 2,5-methylene-9-(phenylsulfonyl)-1,2,3,4,5,9-hexahydro[1,5]oxazocino[3,2-e]indole; serotonin receptors antagonist or partial agonist; metabolic diseases, e.g. obesity, insulin resisitance, type 2 diabetes, eating disorders; antidepressant, anxiolytic agent; cosmetics PROXIMAGEN LIMITED (GB) 2011-06-14 US disclosed
EP-2091953-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4]OXAZEPINO [6, 7-E]INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (publ) (SE) 2009-08-26 EP disclosed
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 US disclosed
WO-2008054288-A1 8-SULFONYL-L, 3, 4, 8-TETRAHYDR0-2H- [1, 4] OXAZEPINO [6, 7-E] INDOLE DERIVATIVES AND THEIR USE AS 5-HT6 RECEPTOR LIGANDS BIOVITRUM AB (PUBL) (SE) 2008-05-08 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 (1 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-20080176829-A1 Compounds HTR6, HTR1B, HTR1A HTR6 1/4885TGFBR1 1906/4885FABP4 1988/4885

“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.