SCHEMBL1996220

SCHEMBL1996220

CN1CCOc2ccc3c(cc(Cl)n3S(=O)(=O)c3ccccc3)c2C1OC(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.35
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
PPARD Q03181 1/20 0.34
PKM P14618 1/20 0.33
PKLR P30613 1/20 0.33
PTGDR Q13258 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HTR6 P50406 7/20 0.33
PTGS2 P35354 1/20 0.33
CPT1A P50416 3/20 0.32
CNR1 P21554 1/20 0.32
CPT2 P23786 2/20 0.31
RORC P51449 1/20 0.31
CPT1B Q92523 1/20 0.30

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
SCHEMBL1997460 0.83 HTR6 (0.41) HTR6
Trifluoroacetic Acid SCHEMBL1996217 0.78 HTR6 (0.42) NR1H3PPARGPPARAPPARDPKM
SCHEMBL1995102 0.76 NR1H3 (0.35) NR1H3PKMPKLRHTR6
SCHEMBL1993158 0.75 PTGDR (0.35) NR1H3PKMPKLRPTGDRPTGDR2
SCHEMBL2003562 0.73 HTR6 (0.48) PKMPKLRHTR6PTGS2
SCHEMBL1997494 0.73 HTR6 (0.42) HTR6
SCHEMBL1997578 0.73 HTR6 (0.40) HTR6
SCHEMBL1998969 0.69 HTR6 (0.40) NR1H3PKMPKLRHTR6CNR1
SCHEMBL1997493 0.69 HTR6 (0.40) NR1H3PKMPKLRPTGDRPTGDR2
Trifluoroacetic Acid SCHEMBL1996241 0.69 HTR6 (0.43) HTR6

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 NR1H3 201/4885PPARG 785/4885PPARA 1349/4885

“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.