SCHEMBL98280

SCHEMBL98280

CN1C2CC[C@@H]1CC(OC(=O)Nc1cc(CCCC(=O)OCc3ccccc3)ccc1-c1ccccc1)C2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.55
CHRM2 P08172 5/20 0.55
CHRM1 P11229 5/20 0.55
CHRM5 P08912 2/20 0.42
HTR2C P28335 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
ADRA2C P18825 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
NFKB1 P19838 1/20 0.42
SLC22A1 O15245 1/20 0.42
CHRM4 P08173 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR3E A5X5Y0 1/20 0.41
HTR3B O95264 1/20 0.41

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
SCHEMBL98281 1.00 CHRM3 (0.55) CHRM3CHRM2CHRM1CHRM5HTR2C
SCHEMBL98785 0.90 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM5HTR2C
SCHEMBL100251 0.90 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM5HTR2C
SCHEMBL98784 0.90 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM5HTR2C
SCHEMBL100252 0.90 CHRM3 (0.60) CHRM3CHRM2CHRM1CHRM5HTR2C
SCHEMBL97809 0.88 CHRM3 (0.59) CHRM3
SCHEMBL130787 0.88 CHRM3 (0.57) CHRM3CHRM2CHRM1CHRM5MEN1
SCHEMBL98847 0.86 CHRM3 (0.58) CHRM3
SCHEMBL132125 0.85 CHRM3 (0.56) CHRM3CHRM2CHRM1CHRM5MEN1
SCHEMBL131856 0.81 CHRM3 (0.47) CHRM3CHRM2CHRM1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 9/4885CHRM2 15/4885CHRM1 25/4885

“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.