SCHEMBL6997213

SCHEMBL6997213

COC1CN(CCCN2CCN(c3ccc(O)cc3)CC2)S(=O)(=O)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.43
HTR1A P08908 6/20 0.43
HTR2A P28223 6/20 0.41
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
DRD5 P21918 2/20 0.40
HTR7 P34969 5/20 0.39
HTR6 P50406 5/20 0.39
ESR1 P03372 1/20 0.39
ESRRG P62508 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR5A P47898 1/20 0.39

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
SCHEMBL7002059 0.90 HTR1A (0.49) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL7105927 0.85 HTR7 (0.41) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL6997493 0.81 HTR7 (0.48) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL7819444 0.80 HTR7 (0.42) DRD2HTR1ADRD4HTR7ADRA1A
SCHEMBL6999334 0.79 HTR1A (0.46) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL7108000 0.79 HTR7 (0.40) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL7104952 0.79 TYR (0.40) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL6988175 0.78 HTR7 (0.42) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL6992366 0.77 HTR1A (0.52) DRD2HTR1AHTR2ADRD4DRD3
SCHEMBL6994168 0.76 L3MBTL1 (0.40)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6664251-B2 Serotonin receptor antagonist; treating cardiovascular disorder DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2003-12-16 US disclosed
EP-0686632-B1 BENZOTHIAZINE DERIVATIVE DAIICHI SUNTORY PHARMA CO LTD (JP) 2003-08-06 EP disclosed
US-20030078256-A1 Benzothiazine derivative SUNTORY LIMITED (JP) 2003-04-24 US disclosed
US-6316442-B1 TREATMENT OF HEART DISEASE AND CEREBROVASCULAR DISTURBANCES SUNTORY LIMITED (JP) 2001-11-13 US disclosed
US-6001827-A Benzothiazine derivative SUNTORY LIMITED (JP) 1999-12-14 US disclosed
EP-0686632-A1 BENZOTHIAZINE DERIVATIVE SUNTORY LIMITED (JP) 1995-12-13 EP 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-20030078256-A1 Benzothiazine derivative TPH2, ADRB2, TPH1 DRD2 402/4885HTR1A 7/4885HTR2A 5/4885

“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.