SCHEMBL2522249

SCHEMBL2522249

CC(C)(C)[Si](C)(C)OCCN(C(=O)c1c(Cl)ncnc1Cl)c1ccc(OCc2ccccc2)c(F)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 4/20 0.53
MRGPRX4 Q96LA9 3/20 0.37
NR1H4 Q96RI1 1/20 0.36
S1PR5 Q9H228 1/20 0.35
ERN1 O75460 1/20 0.35
EGFR P00533 3/20 0.34
ERBB2 P04626 3/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
MDM2 Q00987 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CTSA P10619 1/20 0.33
PTGER1 P34995 2/20 0.33
PDK1 Q15118 1/20 0.33

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
SCHEMBL2522702 0.86 MRGPRX4 (0.43) MRGPRX4NR1H4S1PR5ERN1EGFR
SCHEMBL2520424 0.85 NR1H4 (0.42) DGAT1MRGPRX4NR1H4S1PR5ERN1
SCHEMBL2520431 0.85 NR1H4 (0.42) DGAT1MRGPRX4NR1H4S1PR5ERN1
SCHEMBL12208126 0.83 DGAT1 (0.53) DGAT1MRGPRX4HPGDL3MBTL1
SCHEMBL16532036 0.83 DGAT1 (0.58) DGAT1
SCHEMBL15732994 0.81 DGAT1 (0.68) DGAT1PTGER1
SCHEMBL2522672 0.81 NR1H4 (0.47) MRGPRX4NR1H4S1PR5ERN1EGFR
SCHEMBL16532008 0.77 DGAT1 (0.62) DGAT1NR1H4
SCHEMBL16985005 0.77 DGAT1 (0.59) DGAT1
SCHEMBL2525117 0.77 DGAT1 (0.59) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
US-20110251173-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2011-10-13 US disclosed
WO-2011121350-A1 4 -AMINO -7,8- DIHYDROPYRIMIDO [5, 4 - F] [1, 4] OXAZEPIN- 5 ( 6H) - ONE BASED DGAT1 INHIBITORS ASTRAZENECA AB (SE) 2011-10-06 WO 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-20110251173-A1 CHEMICAL COMPOUNDS DGAT1, DGAT2, SLC5A1 DGAT1 1/4885MRGPRX4 415/4885NR1H4 582/4885

“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.