SCHEMBL4766097

SCHEMBL4766097

CC(CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.37
RIPK1 Q13546 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SMYD2 Q9NRG4 1/20 0.32
KCNH3 Q9ULD8 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
SCHEMBL13915435 1.00 TRPA1 (0.37) TRPA1RIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL4735366 1.00 TRPA1 (0.37) TRPA1RIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL14564989 0.87 TRPA1 (0.40) TRPA1RIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL27032153 0.87 TRPA1 (0.40) TRPA1RIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL8391322 0.87 TRPA1 (0.40) TRPA1RIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL30425003 0.85 TRPA1 (0.36) TRPA1RIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL3991039 0.84 LMNA (0.34) TRPA1RIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL15295114 0.84 TRPA1 (0.34) TRPA1RIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL8175900 0.84 TRPA1 (0.35) TRPA1RIPK1SLC6A2SLC6A4SLC6A3
SCHEMBL4455719 0.84 TRPA1 (0.35) TRPA1RIPK1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 EP 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 (2 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-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 TRPA1 123/4885RIPK1 2397/4885SLC6A2 426/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 TRPA1 260/4885RIPK1 2362/4885SLC6A2 269/4885

“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.