SCHEMBL2084809

SCHEMBL2084809

CC(=O)OCc1ncccc1C(O[SiH](C)C)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.39
CHRM4 P08173 3/20 0.39
CHRM5 P08912 3/20 0.39
CHRM1 P11229 3/20 0.39
CHRM3 P20309 3/20 0.39
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL2084417 0.82 ALDH1A1 (0.40) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL7499934 0.74 CTSA (0.31) L3MBTL1
SCHEMBL2084573 0.73 CHRNB2 (0.30)
SCHEMBL2082420 0.72 TRIM24 (0.30)
SCHEMBL4067437 0.72 ALDH1A1 (0.41) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL5465600 0.72 NOS3 (0.38) ALDH1A1
SCHEMBL5719445 0.72 TRIM24 (0.32)
SCHEMBL5455959 0.70 METAP1 (0.39) ALDH1A1L3MBTL1
SCHEMBL4062858 0.70 ALDH1A1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL31088058 0.70 ALDH1A1 (0.46) CHRM2CHRM4CHRM5CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 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-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 CHRM2 785/4885CHRM4 1161/4885CHRM5 921/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CHRM2 655/4885CHRM4 805/4885CHRM5 728/4885

“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.