SCHEMBL1760910

SCHEMBL1760910

CCOC(=O)C(c1cccc(C(F)(F)F)c1)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 1/20 0.46
CACNA2D1 P54289 1/20 0.46
CACNA1B Q00975 1/20 0.46
CACNB1 Q02641 1/20 0.46
CACNA1C Q13936 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM3 P20309 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.43
GLS O94925 1/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 2/20 0.42

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
SCHEMBL12592927 0.90 MAPT (0.47) TACR1ALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL13962893 0.85 GLS (0.55) TACR1ALDH1A1CHRM2CHRM3MEN1
SCHEMBL2541503 0.83 CACNA2D1 (0.48) TACR1ALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL1760998 0.82 CHRM2 (0.48) TACR1ALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL14593427 0.81 CACNA2D1 (0.47) TACR1ALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL1761023 0.80 TACR1 (0.50) TACR1ALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL14593457 0.80 MC4R (0.67) TACR1ALDH1A1ALOX15CACNA2D1CACNA1B
SCHEMBL14593364 0.79 RPS6KB1 (0.48) CACNA2D1CACNA1BCACNB1CACNA1CCHRM2
SCHEMBL12647568 0.79 CACNA2D1 (0.48) TACR1ALDH1A1CACNA2D1CACNA1BCACNB1
SCHEMBL31462631 0.76 TGFBR1 (0.47) ALDH1A1ALOX15CHRM2CHRM4CHRM3

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
CN-101448844-B Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE 2012-07-25 CN disclosed
US-7947692-B2 Substituted thiazolo[5,4-d]pyrimidine urea derivatives HOFFMANN-LA ROCHE INC. (US) 2011-05-24 US disclosed
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP disclosed
CN-101448844-A Thiazolo-pyramidine / pyridine urea derivatives as adenosine a2b receptor antagonists HOFFMANN LA ROCHE (CH) 2009-06-03 CN disclosed
EP-2027132-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2009-02-25 EP disclosed
WO-2007134958-A1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-11-29 WO disclosed
US-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives BRINKMAN JOHN A 2007-11-22 US 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-20070270433-A1 Thiazolo-pyrimidine/pyridine urea derivatives ADORA2B, UTS2R, TBXA2R TACR1 467/4885ALDH1A1 676/4885ALOX15 1539/4885

“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.