SCHEMBL98252

SCHEMBL98252

CN1CCC(OC(=O)Nc2cc(/C=C/COc3ccc(CCNC(=O)OC(C)(C)C)cc3)ccc2-c2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 19/20 0.48
NAMPT P43490 1/20 0.39

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
SCHEMBL98253 1.00 CHRM3 (0.48) CHRM3NAMPT
SCHEMBL100315 0.93 CHRM3 (0.51) CHRM3
SCHEMBL100314 0.93 CHRM3 (0.51) CHRM3
SCHEMBL100473 0.86 CHRM3 (0.51) CHRM3
SCHEMBL15823264 0.86 NDUFS8 (0.41) NAMPT
SCHEMBL15823262 0.86 NDUFS8 (0.41) NAMPT
SCHEMBL15824492 0.84 NAMPT (0.36) CHRM3NAMPT
SCHEMBL15824493 0.84 NAMPT (0.36) CHRM3NAMPT
SCHEMBL15824490 0.84 NAMPT (0.36) CHRM3NAMPT
SCHEMBL15824822 0.80 NAMPT (0.41) NAMPT

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 9/4885NAMPT 4072/4885

“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.