SCHEMBL1852140

SCHEMBL1852140

Cc1ccc2c(c1)C(O)C(Br)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 3/20 0.40
HTR1A P08908 1/20 0.38
AADAT Q8N5Z0 2/20 0.37
ACHE P22303 1/20 0.36
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30

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
SCHEMBL27145561 0.79 TRPM5 (0.41) TRPM5HTR1AAADATACHECHRNB2
SCHEMBL27146256 0.79 TRPM5 (0.41) TRPM5HTR1AAADATACHECHRNB2
SCHEMBL7483010 0.78 HTR6 (0.41) TRPM5HTR1AAADATACHECHRNB2
SCHEMBL5304917 0.78 HTR1A (0.39) HTR1AACHECHRNB2CHRNA4HTR2A
SCHEMBL1180151 0.77 OPRM1 (0.47) HTR1AAADATACHEDRD2HTR2A
SCHEMBL30666589 0.77 MEN1 (0.31) KMT2A
SCHEMBL30082461 0.77 MEN1 (0.31) KMT2A
SCHEMBL5680208 0.75 TRPM5 (0.38) TRPM5HTR1AAADATACHECHRNB2
SCHEMBL22714298 0.75 TRPM5 (0.48) TRPM5HTR1AAADATACHECHRNB2
SCHEMBL5680209 0.75 TRPM5 (0.38) TRPM5HTR1AAADATACHECHRNB2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1609785-B1 C-GLYCOSIDE DERIVATIVES AND SALTS THEREOF ASTELLAS PHARMA INC (JP) 2016-02-03 EP disclosed
US-7977466-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2011-07-12 US disclosed
EP-1980560-B1 C-glycoside derivatives for the treatment of diabetes ASTELLAS PHARMA INC (JP) 2011-05-25 EP disclosed
CN-1802366-B C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC 2010-12-22 CN disclosed
US-7772407-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2010-08-10 US disclosed
US-20090069252-A1 C-GLYCOSIDE DERIVATIVES AND SALTS THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-12 US disclosed
EP-1980560-A2 C-glycoside derivatives for the treatment of diabetes Astellas Pharma Inc. (JP) 2008-10-15 EP disclosed
US-20070161787-A1 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-07-12 US disclosed
US-7202350-B2 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2007-04-10 US disclosed
CN-1802366-A C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC (JP) 2006-07-12 CN disclosed
US-20060122126-A1 C-glycoside derivatives and salts thereof ASTELLAS PHARMA INC. (JP) 2006-06-08 US disclosed
EP-1609785-A1 C-GLYCOSIDE DERIVATIVES AND SALTS THEREOF Astellas Pharma Inc. (JP) 2005-12-28 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 (3 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-20070161787-A1 C-glycoside derivatives and salts thereof SLC5A1, SLC5A2, SLC2A1 TRPM5 3561/4885HTR1A 4160/4885AADAT 2991/4885
US-20060122126-A1 C-glycoside derivatives and salts thereof SLC5A1, SLC5A2, SLC2A1 TRPM5 3561/4885HTR1A 4160/4885AADAT 2991/4885
US-20090069252-A1 C-GLYCOSIDE DERIVATIVES AND SALTS THEREOF SLC5A1, SLC5A2, SLC2A1 TRPM5 3561/4885HTR1A 4160/4885AADAT 2991/4885

“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.