SCHEMBL7001823

SCHEMBL7001823

O=S1(=O)c2ccccc2C2(CN1CCCN1CCN(c3ccccc3F)CC1)OCCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.50
HTR1A P08908 3/20 0.50
HTR2A P28223 2/20 0.50
HTR7 P34969 2/20 0.50
HTR6 P50406 2/20 0.50
SIGMAR1 Q99720 1/20 0.43
ADRA1A P35348 2/20 0.41
DRD3 P35462 1/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2C9 P11712 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
ADRA1D P25100 1/20 0.39
ADRA1B P35368 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL6996001 0.86 HTR7 (0.49) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL6999266 0.86 DRD2 (0.47) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL6997847 0.85 HTR7 (0.47) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL6998180 0.84 HTR7 (0.47) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL6996279 0.84 HTR7 (0.45) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL6998668 0.83 HTR1A (0.53) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL6994591 0.82 DRD2 (0.51) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL6995810 0.82 DRD2 (0.40) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL6994735 0.82 HTR1A (0.52) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL6987487 0.80 DRD2 (0.52) DRD2HTR1AHTR2AHTR7HTR6

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.