SCHEMBL6800371

SCHEMBL6800371

CC(C)(C)[Si](C)(C)OCc1cccc(C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.35
BACE1 P56817 1/20 0.34
MAPT P10636 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TACR1 P25103 5/20 0.33
IDO1 P14902 2/20 0.33
OPRK1 P41145 1/20 0.32
BCHE P06276 1/20 0.32
BTN3A1 O00481 1/20 0.31

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
SCHEMBL6798147 0.89 CYP19A1 (0.37) AGXTMAPTIDO1
SCHEMBL1315036 0.81 IDO1 (0.46) AGXTBACE1MAPTSLC6A2IDO1
SCHEMBL6031606 0.80 TAAR1 (0.41) AGXTIDO1
SCHEMBL19553179 0.79 IDO1 (0.35) AGXTTACR1IDO1BCHEBTN3A1
SCHEMBL20298754 0.77 LCK (0.44) BACE1MAPTIDO1
SCHEMBL840465 0.76 GABRA1 (0.45) BACE1MAPTOPRK1
SCHEMBL11942311 0.76 IDO1 (0.38) AGXTIDO1
SCHEMBL20795881 0.76 CASR (0.40) AGXTSLC6A2SLC6A4SLC6A3TACR1
SCHEMBL501378 0.75 MRGPRX4 (0.41) BACE1IDO1
SCHEMBL21367138 0.75 CYP3A4 (0.56) AGXTMAPTIDO1

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-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AVENTIS PHARMA S.A. (FR) 2004-11-25 US disclosed
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 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-20040235816-A1 Azetidine derivatives, their preparation and medicaments containing them AZI2, ADRA2A, ADRA2C AGXT 4044/4885BACE1 2712/4885MAPT 3259/4885

“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.