SCHEMBL98784

SCHEMBL98784

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 18/20 0.60
CHRM1 P11229 4/20 0.60
CHRM2 P08172 3/20 0.60
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
CHRNA7 P36544 1/20 0.46
HTR3A P46098 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
CHRM5 P08912 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
ADRA2C P18825 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL98785 1.00 CHRM3 (0.60) CHRM3CHRM1CHRM2HTR3EHTR3B
SCHEMBL100252 1.00 CHRM3 (0.60) CHRM3CHRM1CHRM2HTR3EHTR3B
SCHEMBL100251 1.00 CHRM3 (0.60) CHRM3CHRM1CHRM2HTR3EHTR3B
SCHEMBL98281 0.90 CHRM3 (0.55) CHRM3CHRM1CHRM2HTR3EHTR3B
SCHEMBL98280 0.90 CHRM3 (0.55) CHRM3CHRM1CHRM2HTR3EHTR3B
SCHEMBL98776 0.87 CHRM3 (0.66) CHRM3
SCHEMBL99414 0.86 CHRM3 (0.62) CHRM3CHRM1CHRM2CHRM5MEN1
SCHEMBL99413 0.86 CHRM3 (0.62) CHRM3CHRM1CHRM2CHRM5MEN1
SCHEMBL132922 0.86 CHRM3 (0.62) CHRM3CHRM1CHRM2CHRM5MEN1
Hydrochloric Acid SCHEMBL99916 0.86 CHRM3 (0.64) CHRM3

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 9/4885CHRM1 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.