SCHEMBL5545783

SCHEMBL5545783

CC[N+](CC)(CC)CCOC(CNC(=O)C=C(C)N)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.45
CHRM3 P20309 3/20 0.45
CHRM2 P08172 2/20 0.45
BCAT2 O15382 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
F9 P00740 1/20 0.36
F10 P00742 1/20 0.36
PLAU P00749 1/20 0.36
CHRNA7 P36544 7/20 0.35
CHRNB2 P17787 5/20 0.35
CHRNB4 P30926 5/20 0.35
CHRNA3 P32297 5/20 0.35
CHRNA4 P43681 5/20 0.35
CHRNA10 Q9GZZ6 3/20 0.35
CHRNA9 Q9UGM1 3/20 0.35
CHRM4 P08173 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 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
SCHEMBL14365108 0.87 LTB4R (0.40) BCAT2LTB4RLTB4R2F9F10
SCHEMBL5550359 0.84 BCAT2 (0.37) BCAT2LTB4RLTB4R2F9F10
SCHEMBL5550358 0.84 BCAT2 (0.37) BCAT2LTB4RLTB4R2F9F10
SCHEMBL14365151 0.81 CHRM1 (0.48) CHRM1CHRM3CHRM2BCAT2CHRNA7
SCHEMBL14365126 0.77 CHRM1 (0.47) CHRM1CHRM3CHRM2CHRNA7CHRNB2
Iodide SCHEMBL5543954 0.76 CHRM1 (0.49) CHRM1CHRM3CHRM2CHRNA7CHRNB2
SCHEMBL14365132 0.76 CHRM1 (0.44) CHRM1CHRM3CHRM2CHRNA7CHRNB2
SCHEMBL14365161 0.75 CHRM1 (0.44) CHRM1CHRM3CHRM2CHRNA7CHRNB2
SCHEMBL14365125 0.74 CHRM1 (0.44) CHRM1CHRM3CHRM2CHRNA7CHRNB2
SCHEMBL5548759 0.70 CHRM2 (0.50) CHRM1CHRM3CHRM2CHRNA7CHRNB2

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-7301018-B2 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2007-11-27 US disclosed
US-20040142378-A1 Probe for mass spectrometry of liquid sample JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2004-07-22 US disclosed
US-20040031122-A1 Wiping device VALEO WISCHERSYSTEME GMBH (DE) 2004-02-19 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-20040142378-A1 Probe for mass spectrometry of liquid sample MRPS22, MRPS27, MRPS23 CHRM1 1278/4885CHRM3 1483/4885CHRM2 1198/4885

“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.