SCHEMBL6992333

SCHEMBL6992333

COc1cccc2c1C1(CN(CCCN3CCN(c4ccccn4)CC3)S2(=O)=O)OCCO1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 8/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
DRD2 P14416 3/20 0.47
HTR2A P28223 3/20 0.47
HTR7 P34969 3/20 0.47
HTR6 P50406 3/20 0.47
SIGMAR1 Q99720 3/20 0.46
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
HRH3 Q9Y5N1 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
SCHEMBL6990441 0.87 HTR1A (0.52) HTR1AADRA1DADRA1AADRA1BDRD2
SCHEMBL6995693 0.87 HTR7 (0.44) HTR1AADRA1ADRD2HTR2AHTR7
SCHEMBL6994735 0.85 HTR1A (0.52) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL6997847 0.84 HTR7 (0.47) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL6995184 0.83 HTR7 (0.48) HTR1AADRA1AADRA1BDRD2HTR2A
SCHEMBL6994107 0.83 KCNH2 (0.51) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL6992836 0.83 HTR7 (0.40) HTR1AADRA1AADRA1BDRD2HTR2A
SCHEMBL6997041 0.82 HTR7 (0.46) HTR1AADRA1AADRA1BDRD2HTR2A
SCHEMBL6993542 0.80 HTR7 (0.35) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL6997971 0.79 HTR7 (0.36) HTR1ADRD2HTR2AHTR7HTR6

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
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
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 7/4885ADRA1D 44/4885ADRA1A 87/4885

“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.