SCHEMBL2001580

SCHEMBL2001580

CC1=NCCOc2ccc3c(c(Cl)cn3S(=O)(=O)c3ccccc3)c21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 13/20 0.44
PKM P14618 3/20 0.40
PKLR P30613 2/20 0.40
HTR2A P28223 2/20 0.38
CYP3A4 P08684 2/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
DRD2 P14416 2/20 0.36
KLK7 P49862 1/20 0.36
CYP2D6 P10635 1/20 0.36
BRD4 O60885 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGS2 P35354 1/20 0.34

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
SCHEMBL1997137 0.81 HTR6 (0.46) HTR6HTR2ACYP3A4DRD2CYP2D6
SCHEMBL1998793 0.77 HTR6 (0.51) HTR6PKMPKLRHTR2ACYP3A4
SCHEMBL2001693 0.73 HTR6 (0.46) HTR6PKMPKLRHTR2ACYP3A4
SCHEMBL1995997 0.73 HTR6 (0.47) HTR6PKMPKLRHTR2ACYP3A4
SCHEMBL2003639 0.73 HTR6 (0.42) HTR6PKMPKLRHTR2ACYP3A4
SCHEMBL1998085 0.69 HTR6 (0.44) HTR6HTR2ACYP3A4DRD2CYP2D6
SCHEMBL13504545 0.68 HTR6 (0.48) HTR6HTR2ACYP3A4HTR2CHTR2B
SCHEMBL1998144 0.68 HTR6 (0.45) HTR6PKMPKLRMEN1KMT2A
SCHEMBL1997381 0.67 HTR6 (0.40) HTR6PKMPKLRHTR2ACYP3A4
SCHEMBL1999183 0.67 HTR6 (0.41) HTR6HTR2ADRD2BRD4MEN1

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 10 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 claimed
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 US claimed
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
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
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
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 US 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 1/4885PKM 1287/4885PKLR 2231/4885

“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.