SCHEMBL6995519

SCHEMBL6995519

COc1cccc2c1C(O)CN(CCCCCl)S2(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.37
HTR1A P08908 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KCNH2 Q12809 5/20 0.34
HRH3 Q9Y5N1 5/20 0.34
DRD2 P14416 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
HCRTR1 O43613 3/20 0.33
HCRTR2 O43614 3/20 0.33
HTR2A P28223 2/20 0.33
HTR6 P50406 2/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7000061 0.97 HTR1A (0.37) HTR7HTR1AL3MBTL1KCNH2HRH3
SCHEMBL6988907 0.92 HTR1A (0.36) HTR7HTR1AL3MBTL1HCRTR1HCRTR2
SCHEMBL7109579 0.86 HTR7 (0.37) HTR7HTR1AL3MBTL1KCNH2HRH3
SCHEMBL7105922 0.83 HTR1A (0.37) HTR7HTR1AL3MBTL1KCNH2HRH3
SCHEMBL7110750 0.80 HCRTR1 (0.37) HTR7HTR1AL3MBTL1KCNH2HRH3
SCHEMBL6994254 0.80 HTR7 (0.47) HTR7HTR1AKCNH2DRD2ALDH1A1
SCHEMBL6988175 0.78 HTR7 (0.42) HTR7HTR1AKCNH2DRD2DRD4
SCHEMBL6994507 0.78 HTR7 (0.49) HTR7HTR1AKCNH2DRD2ALDH1A1
SCHEMBL6991258 0.78 HTR1A (0.52) HTR7HTR1ADRD2ALDH1A1KDM4E
SCHEMBL7103167 0.78 HTR1A (0.36) HTR7HTR1AL3MBTL1HCRTR1HCRTR2

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 7 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
US-20030078256-A1 Benzothiazine derivative SUNTORY LIMITED (JP) 2003-04-24 US disclosed
EP-0749967-B1 Substituted benzothiazine derivative SUNTORY LTD (JP) 2003-01-22 EP 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
US-5874429-A ANTIISCHEMIC AGENTS; CEREBROVASCULAR DISORDERS; CIRCULATORY IDSORDERS SUNTORY LIMITED (JP) 1999-02-23 US disclosed
EP-0749967-A1 Substituted benzothiazine derivative SUNTORY LIMITED (JP) 1996-12-27 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 HTR7 24/4885HTR1A 7/4885L3MBTL1 227/4885

“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.