SCHEMBL6997331

SCHEMBL6997331

COc1cccc(N2CCN(CCCN3CC4(OCCO4)c4ccccc4S3(=O)=O)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.54
HTR7 P34969 4/20 0.54
DRD2 P14416 4/20 0.54
HTR2A P28223 2/20 0.54
HTR6 P50406 1/20 0.54
KCNH2 Q12809 2/20 0.52
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
DRD4 P21917 1/20 0.45
HRH2 P25021 1/20 0.45
HTR1B P28222 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
ADRA1B P35368 1/20 0.45
HTR2B P41595 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
DRD1 P21728 1/20 0.44
DRD3 P35462 1/20 0.44

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
SCHEMBL6987487 0.91 DRD2 (0.52) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL6994107 0.89 KCNH2 (0.51) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL6999266 0.88 DRD2 (0.47) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL6996279 0.87 HTR7 (0.45) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL6996872 0.83 HTR1A (0.45) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL6996027 0.82 HTR7 (0.44) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL6995810 0.82 DRD2 (0.40) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL6996001 0.82 HTR7 (0.49) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL6994591 0.82 DRD2 (0.51) HTR1AHTR7DRD2HTR2AHTR6
SCHEMBL6995693 0.82 HTR7 (0.44) HTR1AHTR7DRD2HTR2AHTR6

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 HTR1A 7/4885HTR7 24/4885DRD2 402/4885

“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.