SCHEMBL6996872

SCHEMBL6996872

COc1ccc2c(c1)C1(CN(CCCN3CCN(c4ccc(F)cc4)CC3)S2(=O)=O)OCCO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.45
HTR2A P28223 4/20 0.45
HTR7 P34969 4/20 0.45
HTR2C P28335 3/20 0.45
ALOX15 P16050 1/20 0.44
TP53 P04637 1/20 0.43
DRD2 P14416 4/20 0.42
DRD4 P21917 2/20 0.42
ABCB1 P08183 3/20 0.42
HSD17B10 Q99714 1/20 0.41
DRD3 P35462 2/20 0.41
SLC6A4 P31645 2/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
ADRA1B P35368 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR5A P47898 1/20 0.41

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
SCHEMBL6996027 0.94 HTR7 (0.44) HTR1AHTR2AHTR7HTR2CALOX15
SCHEMBL6996880 0.86 DRD2 (0.46) HTR1AHTR2AHTR7HTR2CTP53
SCHEMBL6987487 0.86 DRD2 (0.52) HTR1AHTR2AHTR7DRD2DRD4
SCHEMBL6996001 0.85 HTR7 (0.49) HTR1AHTR2AHTR7HTR2CDRD2
SCHEMBL6998180 0.83 HTR7 (0.47) HTR1AHTR2AHTR7HTR2CDRD2
SCHEMBL6994274 0.83 DRD2 (0.46) HTR2AHTR7HTR2CDRD2HTR6
SCHEMBL6995184 0.83 HTR7 (0.48) HTR1AHTR2AHTR7HTR2CALOX15
SCHEMBL6997331 0.83 HTR1A (0.54) HTR1AHTR2AHTR7DRD2DRD4
SCHEMBL6994472 0.82 DRD2 (0.44) HTR1AHTR2AHTR7HTR2CTP53
SCHEMBL6997041 0.81 HTR7 (0.46) HTR1AHTR2AHTR7HTR2CALOX15

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 7/4885HTR2A 5/4885HTR7 24/4885

“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.