SCHEMBL135553

SCHEMBL135553

CN1[C@@H]2C[C@@H](OC(=O)Nc3cc(CCC(=O)Nc4ccc(CO[Si](C)(C)C(C)(C)C)c(Cl)c4)ccc3-c3ccccc3)C[C@H]1[C@@H]1O[C@@H]12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 6/20 0.47
CHRM1 P11229 5/20 0.47
CHRM2 P08172 3/20 0.47
ADRB2 P07550 2/20 0.38
CHRM4 P08173 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
CHRM5 P08912 1/20 0.37
CYP1A2 P05177 1/20 0.37
NFKB1 P19838 1/20 0.37
HIF1A Q16665 1/20 0.37
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 1/20 0.36
BLM P54132 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
GSPT1 P15170 1/20 0.33
CRBN Q96SW2 1/20 0.33

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
SCHEMBL135554 1.00 CHRM3 (0.47) CHRM3CHRM1CHRM2ADRB2CHRM4
SCHEMBL171411 0.94 CHRM3 (0.40) CHRM3CHRM1CHRM2ADRB2PTGDR2
SCHEMBL171410 0.94 CHRM3 (0.40) CHRM3CHRM1CHRM2ADRB2PTGDR2
SCHEMBL664155 0.91 CHRM3 (0.46) CHRM3CHRM1CHRM2ADRB2CHRM4
SCHEMBL101446 0.91 CHRM3 (0.46) CHRM3CHRM1CHRM2ADRB2CHRM4
SCHEMBL662790 0.90 CHRM3 (0.48) CHRM3CHRM1CHRM2CHRM4TSHR
SCHEMBL99562 0.90 CHRM3 (0.48) CHRM3CHRM1CHRM2CHRM4TSHR
SCHEMBL101568 0.89 CHRM3 (0.51) CHRM3CHRM1CHRM2ADRB2CHRM4
SCHEMBL130581 0.89 CHRM3 (0.51) CHRM3CHRM1CHRM2ADRB2CHRM4
SCHEMBL100319 0.89 CHRM3 (0.50) CHRM3CHRM1CHRM2CHRM4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 US claimed
US-9072734-B2 Quaternary ammonium salt compounds TEIJIN PHARMA LIMITED (JP) 2015-07-07 US disclosed
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed
US-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS TEIJIN PHARMA LIMITED (JP) 2012-02-23 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-20120046467-A1 QUATERNARY AMMONIUM SALT COMPOUNDS ADRB2, AGTR2, ADRB3 CHRM3 9/4885CHRM1 25/4885CHRM2 15/4885

“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.