SCHEMBL6994507

SCHEMBL6994507

COc1cccc2c1C(O)CN(CCCN1CCN(c3ccc(F)cc3)CC1)S2(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR1A P08908 2/20 0.49
DRD2 P14416 2/20 0.49
DRD4 P21917 2/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
SLC6A4 P31645 1/20 0.49
ADRA1A P35348 1/20 0.49
HRH1 P35367 1/20 0.49
ADRA1B P35368 1/20 0.49
DRD3 P35462 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR5A P47898 1/20 0.49
HTR6 P50406 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KCNH2 Q12809 1/20 0.49
TMEM97 Q5BJF2 1/20 0.49

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
SCHEMBL6994254 0.98 HTR7 (0.47) HTR7HTR2AHTR2CHTR1ADRD2
SCHEMBL6993469 0.94 DRD4 (0.44) HTR7HTR2AHTR2CHTR1ADRD2
SCHEMBL6988175 0.93 HTR7 (0.42) HTR7HTR2AHTR2CHTR1ADRD2
SCHEMBL7104512 0.89 HTR7 (0.49) HTR7HTR2AHTR2CHTR1ADRD2
SCHEMBL6997228 0.87 HTR7 (0.49) HTR7HTR2AHTR1ADRD2DRD4
SCHEMBL7111622 0.87 HTR7 (0.47) HTR7HTR2AHTR2CHTR1ADRD2
SCHEMBL7104947 0.86 HTR7 (0.47) HTR7HTR2AHTR2CHTR1ADRD2
SCHEMBL6985867 0.84 HTR2A (0.50) HTR7HTR2AHTR2CHTR6KMT2A
SCHEMBL7106907 0.84 HTR7 (0.45) HTR7HTR2AHTR2CHTR1ADRD2
SCHEMBL7105747 0.83 DRD4 (0.44) HTR7HTR2AHTR2CHTR1ADRD2

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 HTR7 24/4885HTR2A 5/4885HTR2C 6/4885

“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.