SCHEMBL3077329

SCHEMBL3077329

CC(C)(C)OC(=O)NC1(CC[Si](C)(C)C)CCCCC1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.38
EPHX1 P07099 1/20 0.36
KMT2A Q03164 1/20 0.35
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
SMO Q99835 1/20 0.31
HCRTR2 O43614 1/20 0.31
CACNA1H O95180 1/20 0.30
P2RX7 Q99572 1/20 0.30

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
SCHEMBL3077333 0.72 EPHX1 (0.40) BTKEPHX1KMT2ACTSSCTSK
SCHEMBL3080165 0.71 SLC1A2 (0.32)
SCHEMBL17007379 0.70 BTK (0.46) BTKEPHX1KMT2ACTSSCTSK
SCHEMBL3052729 0.70 BTK (0.46) BTKEPHX1KMT2ACTSSCTSK
SCHEMBL3375332 0.68 EPHX1 (0.39) BTKEPHX1KMT2ACTSSCTSK
SCHEMBL1665748 0.68 EPHX1 (0.48) BTKEPHX1KMT2ACTSSCTSK
SCHEMBL17365607 0.66 EPHX1 (0.49) BTKEPHX1KMT2ACTSSCTSK
SCHEMBL2483020 0.66 BTK (0.43) BTKEPHX1KMT2ACTSSCTSK
SCHEMBL2533042 0.66 BTK (0.43) BTKEPHX1KMT2ACTSSCTSK
SCHEMBL2531868 0.66 BTK (0.43) BTKEPHX1KMT2ACTSSCTSK

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-9150541-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2015-10-06 US disclosed
US-8486970-B2 Tetrahydroisoquinolin-1-one derivative or salt thereof SELDAR PHARMA INC. (US) 2013-07-16 US disclosed
US-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-09 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-20100227866-A1 TETRAHYDROISOQUINOLIN-1-ONE DERIVATIVE OR SALT THEREOF BRS3, BDKRB2, NTSR2 BTK 792/4885EPHX1 2650/4885KMT2A 2166/4885

“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.