SCHEMBL1799271

SCHEMBL1799271

COC[C@@H](C(C)C)N(Cc1cccc(CC=O)c1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
PTGES O14684 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
GLS O94925 2/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
NR1H4 Q96RI1 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32

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
SCHEMBL1799269 1.00 SLC7A5 (0.34) SLC7A5CYP2D6CYP2C9CYP2C19RECQL
SCHEMBL1802799 0.87 CYP4F2 (0.39) SLC7A5CYP2D6CYP2C9CYP2C19RECQL
SCHEMBL1802802 0.87 CYP4F2 (0.39) SLC7A5CYP2D6CYP2C9CYP2C19RECQL
SCHEMBL1803365 0.85 SLC7A5 (0.34) SLC7A5PTGESGLSHTR2CSLC6A4
SCHEMBL1800183 0.85 SLC7A5 (0.34) SLC7A5PTGESGLSHTR2CSLC6A4
SCHEMBL1799273 0.77 BACE1 (0.40) SLC7A5PTGESGRIN2DGRIN3BGRIN1
SCHEMBL1802570 0.76 CYP4F2 (0.40) SLC7A5CYP2D6CYP2C9CYP2C19RECQL
SCHEMBL1803711 0.76 CYP4F2 (0.40) SLC7A5CYP2D6CYP2C9CYP2C19RECQL
SCHEMBL1803367 0.75 HDAC1 (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1802422 0.72 CYP4F2 (0.38) SLC7A5CYP2D6CYP2C9CYP2C19RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951954-B2 Bezothiazol derivatives as Beta2 adrenoreceptor agonists ASTRAZENECA AB (SE) 2011-05-31 US disclosed
US-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ASTRAZENECA AB (SE) 2009-03-05 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-20090062259-A1 Bezothiazol Derivatives as Beta2 Adrenoreceptor Agonists ADRB2, ADRB1, ADRB3 SLC7A5 4688/4885CYP2D6 1188/4885CYP2C9 1331/4885

“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.