SCHEMBL1994437

SCHEMBL1994437

CC1(OC(=O)C(F)(F)F)NCCOc2ccc3c(ccn3S(=O)(=O)c3ccccc3Cl)c21

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.46
FABP4 P15090 5/20 0.37
CYP3A4 P08684 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
DRD3 P35462 1/20 0.35
MET P08581 1/20 0.35
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL1995691 0.85 HTR6 (0.43) HTR6FABP4CYP3A4MET
SCHEMBL1998909 0.81 HTR6 (0.38) HTR6HTR2CDRD3GAA
SCHEMBL1997381 0.78 HTR6 (0.40) HTR6CYP3A4HTR2AHTR2C
SCHEMBL1994375 0.77 HTR6 (0.43) HTR6FABP4CYP3A4HTR2AHTR2C
SCHEMBL1998595 0.77 HTR6 (0.34) HTR6FABP4CYP3A4
SCHEMBL1997135 0.77 FABP4 (0.39) HTR6FABP4HTR2C
Trifluoroacetic Acid SCHEMBL1994435 0.76 HTR6 (0.44) HTR6FABP4CYP3A4HTR2AHTR2C
Trifluoroacetic Acid SCHEMBL1994374 0.75 HTR6 (0.48) HTR6FABP4CYP3A4HTR2AHTR2C
SCHEMBL1998092 0.74 HTR6 (0.42) HTR6HTR2CHTTNPSR1
SCHEMBL1994708 0.72 CPT2 (0.37) HTR6FABP4GAAMAPK1

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 1/4885FABP4 1988/4885CYP3A4 381/4885

“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.