SCHEMBL1996280

SCHEMBL1996280

O=S(=O)(c1ccccc1)n1ccc2c(CO)c(O)ccc21

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 19/20 0.63
DRD3 P35462 5/20 0.50
HTR1A P08908 2/20 0.50
HTR1D P28221 2/20 0.50
HTR1B P28222 2/20 0.50
HTR1F P30939 2/20 0.50
HTR7 P34969 2/20 0.50
DRD2 P14416 3/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 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
SCHEMBL3622018 0.84 HTR6 (0.58) HTR6DRD3HTR1AHTR1DHTR1B
SCHEMBL3624451 0.82 HTR6 (0.52) HTR6DRD3HTR1AHTR1DHTR1B
SCHEMBL1998271 0.80 HTR6 (0.67) HTR6DRD3HTR1AHTR1DHTR1B
SCHEMBL3626212 0.80 HTR6 (0.67) HTR6DRD3DRD2
SCHEMBL3614178 0.79 HTR6 (0.51) HTR6DRD3HTR1AHTR1DHTR1B
SCHEMBL1993536 0.79 HTR6 (0.65) HTR6DRD3HTR1AHTR1DHTR1B
SCHEMBL3619661 0.79 HTR6 (0.52) HTR6DRD3DRD2ALDH1A1KMT2A
SCHEMBL5758119 0.78 HTR6 (1.00) HTR6DRD3HTR1AHTR1DHTR1B
Trifluoroacetic Acid SCHEMBL3623303 0.78 HTR6 (0.50) HTR6DRD3HTR1AHTR1DHTR1B
SCHEMBL7449413 0.77 HTR6 (0.71) HTR6DRD3HTR1AHTR1DHTR1B

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 5 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
CN-101547927-A 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) 2009-09-30 CN 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 1/4885DRD3 174/4885HTR1A 3/4885

“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.