SCHEMBL6998101

SCHEMBL6998101

O=S1(=O)c2ccccc2C2(CN1CCCN1CCC(c3n[nH]c4cc(F)ccc34)CC1)OCCO2

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.39
ADRA1B P35368 1/20 0.39
DRD2 P14416 3/20 0.37
HTR2A P28223 3/20 0.37
MCHR1 Q99705 1/20 0.37
CCR3 P51677 1/20 0.36
HTR1A P08908 1/20 0.35

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
SCHEMBL6996785 0.85 ACHE (0.53) DRD2HTR2AMCHR1HTR1A
SCHEMBL7000199 0.80 ACHE (0.57) DRD2HTR2AMCHR1HTR1A
SCHEMBL6991441 0.78 SIGMAR1 (0.44) DRD2
SCHEMBL6996001 0.76 HTR7 (0.49) ADRA1BDRD2HTR2AHTR1A
SCHEMBL6997795 0.76 KCNH2 (0.45) HTR2A
SCHEMBL6996279 0.76 HTR7 (0.45) ADRA1DADRA1BDRD2HTR2AHTR1A
SCHEMBL8412321 0.75 DRD2 (0.36) DRD2HTR2ACCR3HTR1A
SCHEMBL6998180 0.75 HTR7 (0.47) ADRA1BDRD2HTR2AHTR1A
SCHEMBL7001823 0.73 DRD2 (0.50) ADRA1DADRA1BDRD2HTR2AHTR1A
Ethylene SCHEMBL6998096 0.73 ADRA1D (0.38) ADRA1DADRA1BDRD2HTR2ACCR3

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 ADRA1D 44/4885ADRA1B 61/4885DRD2 402/4885

“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.