SCHEMBL6991277

SCHEMBL6991277

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
DRD2 P14416 4/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
ELANE P08246 5/20 0.37
HTR7 P34969 6/20 0.37
HTR1A P08908 3/20 0.37
HTR2A P28223 3/20 0.37
HTR6 P50406 3/20 0.37
POLL Q9UGP5 1/20 0.35
ATM Q13315 1/20 0.34
FBP1 P09467 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
Ethylene SCHEMBL6993539 0.89 TDP1 (0.35) TDP1DRD2DRD4DRD5DRD3
Ethylene SCHEMBL6997969 0.86 TDP1 (0.34) TDP1DRD2DRD4DRD5DRD3
SCHEMBL7107985 0.86 HTR7 (0.38) TDP1DRD2DRD4DRD5DRD3
SCHEMBL7107980 0.86 HTR7 (0.38) TDP1DRD2DRD4DRD5DRD3
Ethylene SCHEMBL6988204 0.82 TDP1 (0.36) TDP1ELANEPOLLATM
SCHEMBL7107493 0.78 DRD2 (0.51) DRD2DRD4DRD5DRD3HTR7
SCHEMBL7103062 0.78 DRD2 (0.45) DRD2DRD4DRD5DRD3HTR7
SCHEMBL7103149 0.78 HTR7 (0.38) DRD2DRD4DRD5DRD3ELANE
SCHEMBL7111044 0.77 HTR7 (0.40) DRD2DRD4DRD5DRD3HTR7
SCHEMBL7000061 0.76 HTR1A (0.37) DRD2DRD4DRD5DRD3ELANE

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 TDP1 3378/4885DRD2 402/4885DRD4 648/4885

“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.