SCHEMBL6990019

SCHEMBL6990019

COc1cccc2c1C(OC)(OC)CN(CCCCCl)S2(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.38
DRD2 P14416 4/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTR1A P08908 3/20 0.34
HTR2A P28223 3/20 0.34
HTR6 P50406 3/20 0.34
KCNH2 Q12809 7/20 0.32
HRH3 Q9Y5N1 7/20 0.32
ELANE P08246 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6989783 0.96 HTR7 (0.36) HTR7DRD2DRD4DRD5DRD3
SCHEMBL6990870 0.92 HTR7 (0.33) HTR7DRD2DRD4DRD5DRD3
SCHEMBL6997971 0.83 HTR7 (0.36) HTR7DRD2DRD4DRD5DRD3
SCHEMBL7105752 0.80 HTR7 (0.48) HTR7DRD2DRD4DRD5DRD3
SCHEMBL6993542 0.80 HTR7 (0.35) HTR7DRD2DRD4DRD5DRD3
SCHEMBL6997794 0.79 HTR7 (0.34) HTR7DRD2DRD4DRD5DRD3
SCHEMBL6991952 0.78 HTR7 (0.50) HTR7DRD2DRD4DRD3MEN1
SCHEMBL6990441 0.77 HTR1A (0.52) HTR7DRD2DRD4DRD3ALDH1A1
SCHEMBL6985770 0.76 HTR7 (0.49) HTR7DRD2DRD4DRD5DRD3
SCHEMBL6997146 0.75 HTR7 (0.45) HTR7DRD2DRD4DRD3MEN1

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 HTR7 24/4885DRD2 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.