SCHEMBL132389

SCHEMBL132389

COc1cc(NC(=O)CCCc2ccc(-c3ccccc3)c(N(C(=O)O)C3CCN(C)CC3)c2)c(Cl)cc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.37
CHRM3 P20309 4/20 0.36
ADRB2 P07550 3/20 0.36
ALPL P05186 3/20 0.36
ALPI P09923 3/20 0.36
ALPG P10696 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRD1 P41143 1/20 0.35
CHRM2 P08172 1/20 0.35
DRD4 P21917 3/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
HPGD P15428 1/20 0.34
POLB P06746 1/20 0.34
CACNA1G O43497 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL134109 0.92 ALPL (0.36) CHRM3ALPLALPIALPGMEN1
SCHEMBL15822514 0.88 CHEK1 (0.36) CHEK1CHRM3ADRB2ALPLALPI
SCHEMBL15823424 0.88 CHEK1 (0.35) CHEK1CHRM3ADRB2BCHEACHE
SCHEMBL15822512 0.88 CHEK1 (0.36) CHEK1CHRM3ADRB2ALPLALPI
SCHEMBL132259 0.87 CHRM3 (0.45) CHEK1CHRM3ADRB2CHRM2
SCHEMBL101815 0.85 ALPL (0.37) CHRM3ADRB2ALPLALPIALPG
SCHEMBL663673 0.85 CHRM3 (0.44) CHRM3ADRB2CHRM2
SCHEMBL175794 0.84 CDK8 (0.42)
SCHEMBL663010 0.83 CHRM3 (0.46) CHRM3ADRB2CHRM2HPGD
SCHEMBL97653 0.82 CHEK1 (0.42) CHEK1HPGDPOLBGAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHEK1 4054/4885CHRM3 9/4885ADRB2 1/4885

“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.