SCHEMBL6991441

SCHEMBL6991441

O=S1(=O)c2ccccc2C2(CN1CCCN1CCC(c3ccccc3)CC1)OCCO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.44
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
DRD2 P14416 2/20 0.41
SLC18A3 Q16572 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
HTR7 P34969 1/20 0.40
SLC6A2 P23975 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
SCHEMBL6997935 0.82 P2RX7 (0.44) MEN1CYP1A2CYP3A4CYP2D6KMT2A
SCHEMBL6998668 0.79 HTR1A (0.53) CYP1A2CYP2D6CYP2C19DRD2DRD4
SCHEMBL6996785 0.79 ACHE (0.53) DRD2HTR7
SCHEMBL7001823 0.78 DRD2 (0.50) SIGMAR1CYP1A2CYP2D6TSHRCYP2C19
SCHEMBL6996001 0.78 HTR7 (0.49) SIGMAR1DRD2DRD4DRD3HTR7
SCHEMBL6995810 0.78 DRD2 (0.40) SIGMAR1DRD2DRD4DRD3HTR7
SCHEMBL6994591 0.78 DRD2 (0.51) SIGMAR1DRD2DRD4DRD3HTR7
SCHEMBL6998101 0.78 ADRA1D (0.39) DRD2
SCHEMBL6996410 0.78 LMNA (0.34) KMT2A
SCHEMBL6996279 0.78 HTR7 (0.45) SIGMAR1DRD2DRD4DRD3HTR7

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
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
US-5874429-A ANTIISCHEMIC AGENTS; CEREBROVASCULAR DISORDERS; CIRCULATORY IDSORDERS SUNTORY LIMITED (JP) 1999-02-23 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 SIGMAR1 33/4885MEN1 2318/4885TP53 4620/4885

“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.