SCHEMBL7105922

SCHEMBL7105922

COc1cccc2c1C(OC)CN(CCCCl)S2(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.37
HTR7 P34969 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNH2 Q12809 7/20 0.35
HRH3 Q9Y5N1 7/20 0.35
DRD2 P14416 3/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
HCRTR1 O43613 3/20 0.34
HCRTR2 O43614 3/20 0.34
HTR2A P28223 2/20 0.34
HTR6 P50406 2/20 0.34
CYP3A4 P08684 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
SCHEMBL7109579 0.97 HTR7 (0.37) HTR1AHTR7L3MBTL1KCNH2HRH3
SCHEMBL7103167 0.93 HTR1A (0.36) HTR1AHTR7L3MBTL1HCRTR1HCRTR2
SCHEMBL7110750 0.90 HCRTR1 (0.37) HTR1AHTR7L3MBTL1KCNH2HRH3
SCHEMBL7107466 0.86 L3MBTL1 (0.44) HTR1AHTR7L3MBTL1DRD2DRD4
SCHEMBL7000061 0.86 HTR1A (0.37) HTR1AHTR7L3MBTL1KCNH2HRH3
SCHEMBL6995519 0.83 HTR7 (0.37) HTR1AHTR7L3MBTL1KCNH2HRH3
SCHEMBL7002583 0.81 L3MBTL1 (0.40) L3MBTL1
SCHEMBL7111622 0.79 HTR7 (0.47) HTR1AHTR7KCNH2DRD2DRD4
SCHEMBL7104512 0.79 HTR7 (0.49) HTR1AHTR7KCNH2DRD2DRD4
SCHEMBL6988907 0.79 HTR1A (0.36) HTR1AHTR7L3MBTL1HCRTR1HCRTR2

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
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
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 HTR1A 7/4885HTR7 24/4885L3MBTL1 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.