SCHEMBL6998560

SCHEMBL6998560

CS(=O)(=O)Nc1ccc(N2CCN(CCCN3CC4(OCCO4)c4ccccc4S3(=O)=O)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.42
ADRB2 P07550 4/20 0.41
ADRB1 P08588 4/20 0.41
ADRB3 P13945 4/20 0.41
ESRRG P62508 3/20 0.40
ESRRB O95718 1/20 0.40
ESR1 P03372 1/20 0.40
ESRRA P11474 1/20 0.40
HTR1A P08908 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DRD2 P14416 3/20 0.37
DRD4 P21917 2/20 0.37
DRD5 P21918 2/20 0.37
DRD3 P35462 2/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36

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
SCHEMBL6999266 0.87 DRD2 (0.47) HTR7HTR1ADRD2DRD4DRD5
SCHEMBL6995810 0.85 DRD2 (0.40) HTR7ESRRGESRRBESR1HTR1A
SCHEMBL6996001 0.85 HTR7 (0.49) HTR7HTR1ALMNADRD2DRD4
SCHEMBL6994591 0.85 DRD2 (0.51) HTR7HTR1ADRD2DRD4DRD5
SCHEMBL6987487 0.85 DRD2 (0.52) HTR7HTR1ADRD2DRD4DRD3
SCHEMBL6998180 0.83 HTR7 (0.47) HTR7HTR1ADRD2DRD4DRD5
SCHEMBL6997331 0.80 HTR1A (0.54) HTR7HTR1ADRD2DRD4DRD3
SCHEMBL6991304 0.80 HTR1A (0.46) HTR7HTR1ADRD2DRD4DRD3
SCHEMBL6996279 0.79 HTR7 (0.45) HTR7HTR1ADRD2DRD4DRD5
SCHEMBL6998668 0.79 HTR1A (0.53) HTR7HTR1ADRD2DRD4DRD3

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 5 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
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 HTR7 24/4885ADRB2 2/4885ADRB1 10/4885

“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.