SCHEMBL5031468

SCHEMBL5031468

CCNC(=O)OCC[Si](C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ACHE P22303 10/20 0.45
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL16674069 0.84 ACHE (0.60) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL24735973 0.83 ACHE (0.41) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL7523913 0.80 ACHE (0.38) CHRNB2CHRNA4ACHESMN1; SMN2
SCHEMBL11924487 0.80 CHRNB2 (0.52) CHRNB2CHRNA4ACHESMN1; SMN2
SCHEMBL965762 0.79
SCHEMBL16673943 0.79 ACHE (0.63) CHRNB2CHRNB4CHRNA3CHRNA4MEN1
SCHEMBL9593433 0.79 EGLN1 (0.41) ACHEALDH1A1
SCHEMBL22898364 0.79 ACHE (0.38) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL31075623 0.79 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL28538773 0.78 ACHE (0.36) CHRNB2CHRNA4ACHESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389035-A1 BORON-CONTAINING RHO KINASE INHIBITORS PERCIPIAD, INC. 2022-12-08 US disclosed
EP-3848054-A1 NOVEL CYCLIC DINUCLEOTIDE DERIVATIVE AND ANTIBODY-DRUG CONJUGATE THEREOF Daiichi Sankyo Company, Limited (JP) 2021-07-14 EP disclosed
CN-111566091-A Novel alkoxyamino derivatives for the treatment of pain and pain related disorders 埃斯特韦制药有限公司 2020-08-21 CN disclosed
US-8182695-B2 Bridged macrocyclic module compositions WHITEFORD JEFFERY A (US) 2012-05-22 US disclosed
US-20080290034-A1 Bridged macrocyclic module compositions COVALENT PARTNERS LLC 2008-11-27 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 (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-20220389035-A1 BORON-CONTAINING RHO KINASE INHIBITORS ROCK1, ROCK2, RHOT2 CHRNB2 381/4885CHRNB4 423/4885CHRNA3 1243/4885
US-20080290034-A1 Bridged macrocyclic module compositions SBDS, NCL, INTS6 CHRNB2 4183/4885CHRNB4 4272/4885CHRNA3 4404/4885

“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.