SCHEMBL3784397

SCHEMBL3784397

C[N+](C)(C)CCOCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 8/20 0.48
CHRM3 P20309 8/20 0.48
CHRM2 P08172 7/20 0.48
CHRM4 P08173 7/20 0.48
CHRM5 P08912 6/20 0.48
CHRNB2 P17787 4/20 0.48
CHRNA4 P43681 4/20 0.48
CHRNA7 P36544 3/20 0.48
HTR1A P08908 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ADRA2A P08913 1/20 0.48
ADRA1A P35348 1/20 0.48
PGR P06401 1/20 0.48
TBXA2R P21731 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA10 Q9GZZ6 1/20 0.48
CHRNA9 Q9UGM1 1/20 0.48
LMNA P02545 3/20 0.46
CYP2C19 P33261 2/20 0.46

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
Hydrochloric Acid SCHEMBL28878493 0.98 CHRM1 (0.50) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL7125777 0.81 CHRM1 (0.54) CHRM1CHRM3CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL21800984 0.80 MAPT (0.47) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL2804607 0.79 CHRM1 (0.56) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL28421705 0.79 CHRM1 (0.46) CHRM1CHRM3CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL16637633 0.79 CHRM5 (0.56) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL25501824 0.79 ADRA2A (0.52) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL23080917 0.77 ADRA2A (0.50) CHRM1CHRM3CHRM2CHRM4CHRM5
SCHEMBL31627690 0.77 ADRA2A (0.50) CHRM1CHRM3CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL23044723 0.77 MAPT (0.54) CHRM1CHRM3CHRM2CHRM4CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0812821-B1 Carbonic ester of betaine, their preparation and use AKZO NOBEL NV (NL) 2000-11-29 EP claimed
US-20260116923-A1 CYCLIC PEPTIDE IL-1BETA TRAP FOR THE TREATMENT OF ATHEROSCLEROSIS AND INFLAMMATORY DISORDERS MERCK SHARP & DOHME LLC (US) 2026-04-30 US disclosed
WO-2025128805-A1 A CYCLIC PEPTIDE IL-1BETA TRAP FOR THE TREATMENT OF ATHEROSCLEROSIS AND INFLAMMATORY DISORDERS MERCK SHARP & DOHME LLC (US) 2025-06-19 WO disclosed
US-9234125-B2 Corrosion inhibitor systems for low, moderate and high temperature fluids and methods for making and using same WELLS FARGO BANK, NATIONAL ASSOCIATION 2016-01-12 US disclosed
US-20140128294-A1 CORROSION INHIBITOR SYSTEMS FOR LOW, MODERATE AND HIGH TEMPERATURE FLUIDS AND METHODS FOR MAKING AND USING SAME WEATHERFORD/LAMB, INC. (US) 2014-05-08 US disclosed
US-20120302468-A1 FORMULATIONS AND USES OF DRILLING FLUIDS CONTAINING VISCOSIFIED PHOSPHATE BRINE CLEARWATER INTERNATIONAL, LLC (US) 2012-11-29 US disclosed
US-20120295820-A1 MANAGEMENT OF CORROSION IN PHOSPHATE BRINES CLEARWATER INTERNATIONAL, LLC (US) 2012-11-22 US disclosed
EP-2264119-A1 High density phosphate brines and methods for making and using same Clearwater International LLC (US) 2010-12-22 EP disclosed
US-20100305010-A1 HIGH DENSITY PHOSPHATE BRINES AND METHODS FOR MAKING AND USING SAME CLEARWATER INTERNATIONAL, LLC (US) 2010-12-02 US disclosed
US-20060194700-A1 Corrosion inhibitor systems for low, moderate and high temperature fluids and methods for making and using same WEATHERFORD/LAMB 2006-08-31 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-20260116923-A1 CYCLIC PEPTIDE IL-1BETA TRAP FOR THE TREATMENT OF ATHEROSCLEROSIS AND INFLAMMATORY DISORDERS IL1A, IL1B, IL1RN CHRM1 259/4885CHRM3 1199/4885CHRM2 714/4885

“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.