SCHEMBL10064461

SCHEMBL10064461

CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1[C@@H](c1ccc([S+](c3ccccc3)c3ccccc3)nc1)C2

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
GPR119 Q8TDV5 5/20 0.37
ABCB1 P08183 1/20 0.36
HDAC1 Q13547 1/20 0.36
PREP P48147 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35

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
Trifluoromethanesulfonic Acid SCHEMBL408851 0.92 GPR119 (0.36) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL669989 0.81 CHRM2 (0.44) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL8299717 0.81 CHRM2 (0.44) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL1721264 0.78 GPR119 (0.48) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL408852 0.76 GPR119 (0.36) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL17075349 0.75 GPR119 (0.43) CHRM2CHRM1CHRM3CHRNB2CHRNA4
Iodide SCHEMBL17075351 0.74 EIF2AK4 (0.39) CHRM2CHRM1CHRM3CHRNB2CHRNA4
Iodide SCHEMBL14675890 0.74 EIF2AK4 (0.39) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL16777487 0.73 CHRM2 (0.42) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL1723133 0.73 CHRM2 (0.41) CHRM2CHRM1CHRM3CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-26 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-20120020881-A1 Triaryl-sulphonium compounds, kit and methods for labeling positron emitting isotopes KIT, STS, TST CHRM2 4114/4885CHRM1 3894/4885CHRM3 3198/4885

“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.