SCHEMBL2000822

SCHEMBL2000822

COc1cc2c(ccn2S(=O)(=O)c2ccccc2)cc1OCCNC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.52
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
BCHE P06276 4/20 0.47
DRD2 P14416 1/20 0.44
EGFR P00533 1/20 0.43
ERBB2 P04626 1/20 0.43
ERBB4 Q15303 1/20 0.43

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
SCHEMBL1998285 0.88 HTR6 (0.51) HTR6BCHE
SCHEMBL1997016 0.83 HTR6 (0.55) HTR6POLBL3MBTL1MEN1KMT2A
SCHEMBL1997952 0.82 HTR6 (0.61) HTR6MTNR1AMTNR1BPOLBL3MBTL1
SCHEMBL20840619 0.82 HTR6 (0.68) HTR6POLBL3MBTL1MEN1KMT2A
SCHEMBL1994427 0.80 HTR6 (0.56) HTR6POLBL3MBTL1MEN1KMT2A
SCHEMBL1996422 0.76 HTR6 (0.62) HTR6POLBL3MBTL1MEN1KMT2A
SCHEMBL27751256 0.73 HTR6 (0.62) HTR6POLBL3MBTL1MEN1KMT2A
SCHEMBL1993693 0.72 HTR6 (0.57) HTR6POLBL3MBTL1MEN1KMT2A
SCHEMBL2001812 0.70 HTR6 (0.48) HTR6POLBL3MBTL1MEN1KMT2A
SCHEMBL6195294 0.70 MTNR1A (1.00) MTNR1AMTNR1BL3MBTL1KMT2A

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 2 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
US-20080176829-A1 Compounds PROXIMAGEN NEUROSCIENCE PLC (GB) 2008-07-24 US 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 1/4885MTNR1A 45/4885MTNR1B 33/4885

“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.