SCHEMBL1997016

SCHEMBL1997016

COc1cc2c(ccn2S(=O)(=O)c2ccccc2)cc1OCCN

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 17/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
POLB P06746 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
ABCB1 P08183 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
CYP3A4 P08684 1/20 0.45
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
HTR1F P30939 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
SCHEMBL20840619 0.88 HTR6 (0.68) HTR6MEN1KMT2APOLBL3MBTL1
SCHEMBL2001812 0.86 HTR6 (0.48) HTR6MEN1KMT2APOLBL3MBTL1
SCHEMBL1994427 0.85 HTR6 (0.56) HTR6MEN1KMT2APOLBL3MBTL1
SCHEMBL2000822 0.83 HTR6 (0.52) HTR6MEN1KMT2APOLBL3MBTL1
SCHEMBL1996167 0.79 HTR6 (0.67) HTR6MEN1KMT2APOLBL3MBTL1
SCHEMBL1996422 0.78 HTR6 (0.62) HTR6MEN1KMT2APOLBL3MBTL1
SCHEMBL27751256 0.78 HTR6 (0.62) HTR6MEN1KMT2APOLBL3MBTL1
SCHEMBL4082851 0.75 HTR6 (0.72) HTR6HTR1AHTR1DHTR1BHTR1F
Hydrochloric Acid SCHEMBL4073800 0.74 HTR6 (0.71) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL1998285 0.72 HTR6 (0.51) 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 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 1/4885MEN1 1222/4885KMT2A 4369/4885

“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.