SCHEMBL6987487

SCHEMBL6987487

COc1ccc(N2CCN(CCCN3CC4(OCCO4)c4ccccc4S3(=O)=O)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.52
HTR1A P08908 5/20 0.52
HTR2A P28223 2/20 0.48
HTR7 P34969 2/20 0.46
HSD17B10 Q99714 1/20 0.46
DRD3 P35462 5/20 0.45
SLC6A2 P23975 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTR6 P50406 1/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL6997331 0.91 HTR1A (0.54) DRD2HTR1AHTR2AHTR7DRD3
SCHEMBL6999266 0.89 DRD2 (0.47) DRD2HTR1AHTR2AHTR7DRD3
SCHEMBL6994591 0.88 DRD2 (0.51) DRD2HTR1AHTR2AHTR7DRD3
SCHEMBL6996001 0.88 HTR7 (0.49) DRD2HTR1AHTR2AHTR7DRD3
SCHEMBL6995810 0.88 DRD2 (0.40) DRD2HTR1AHTR2AHTR7DRD3
SCHEMBL6996872 0.86 HTR1A (0.45) DRD2HTR1AHTR2AHTR7HSD17B10
SCHEMBL6996027 0.86 HTR7 (0.44) DRD2HTR1AHTR2AHTR7HSD17B10
SCHEMBL6998180 0.86 HTR7 (0.47) DRD2HTR1AHTR2AHTR7DRD3
SCHEMBL6998560 0.85 HTR7 (0.42) DRD2HTR1AHTR7DRD3DRD4
SCHEMBL6991304 0.82 HTR1A (0.46) DRD2HTR1AHTR2AHTR7DRD3

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 DRD2 402/4885HTR1A 7/4885HTR2A 5/4885

“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.