SCHEMBL4095084

SCHEMBL4095084

CC(C)(C)[Si](C)(C)OCc1ccc(N)cc1.O=C(O)C1CNC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
HTR2C P28335 2/20 0.34
EPHX2 P34913 1/20 0.33
PPIB P23284 2/20 0.32
PPID Q08752 2/20 0.32
PPIG Q13427 2/20 0.32
USP14 P54578 1/20 0.32
ESRRG P62508 1/20 0.32
PPIA P62937 1/20 0.32
BLM P54132 1/20 0.31
S1PR5 Q9H228 3/20 0.31
S1PR4 O95977 2/20 0.31
S1PR1 P21453 2/20 0.31
ITGB1 P05556 1/20 0.31
ITGA5 P08648 1/20 0.31
ITGA4 P13612 1/20 0.31
TACR1 P25103 1/20 0.31
PRSS1 P07477 1/20 0.31
TMPRSS15 P98073 1/20 0.31
NAAA Q02083 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
SCHEMBL4083198 0.86 GRM2 (0.41) BACE1HTR2CTACR1
SCHEMBL133816 0.80 MAOB (0.39)
Beta-Alanine SCHEMBL4088334 0.77 FFAR1 (0.35) BACE1EPHX2PPIBPPIDPPIG
Gamma-Aminobutyric Acid SCHEMBL4089616 0.75 BLM (0.39) BACE1EPHX2BLMS1PR4S1PR1
SCHEMBL4095092 0.72 S1PR5 (0.37) USP14S1PR5S1PR4S1PR1
SCHEMBL26185849 0.72 MAOB (0.54) PRSS1
SCHEMBL5029906 0.71 CA2 (0.48) EPHX2
SCHEMBL3722014 0.71 RXRA (0.51)
SCHEMBL906834 0.69 IDO1 (0.48) BACE1ESRRGBLM
SCHEMBL13244784 0.69 BACE1 (0.52) BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 BACE1 3726/4885HTR2C 4728/4885EPHX2 3787/4885

“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.