SCHEMBL25099005

SCHEMBL25099005

CC(C)C(=O)CC(=O)OCC[N+](C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.57
ADRA1A P35348 1/20 0.57
MAPT P10636 1/20 0.55
BLM P54132 1/20 0.55
CYP2C19 P33261 2/20 0.53
CHRM1 P11229 8/20 0.52
CHRM3 P20309 8/20 0.52
CHRM2 P08172 7/20 0.52
CHRM4 P08173 7/20 0.52
CHRM5 P08912 6/20 0.52
CHRNB2 P17787 4/20 0.52
CHRNA4 P43681 4/20 0.52
CHRNA7 P36544 3/20 0.52
HTR1A P08908 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
PGR P06401 1/20 0.52
TBXA2R P21731 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA10 Q9GZZ6 1/20 0.52

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
SCHEMBL25099001 0.84 ADRA2A (0.63) ADRA2AADRA1AMAPTBLMCYP2C19
SCHEMBL16353073 0.83 ADRA2A (0.73) ADRA2AADRA1AMAPTBLMCYP2C19
SCHEMBL29309550 0.82 ADRA2A (0.73) ADRA2AADRA1AMAPTBLMCYP2C19
SCHEMBL15438002 0.79 MGAM (0.41) CHRM1MAPK1LMNATSHRGAA
SCHEMBL6001765 0.79 CHRM1 (0.60) ADRA2AADRA1AMAPTBLMCYP2C19
SCHEMBL12535776 0.78 TSHR (0.37) ADRA2AADRA1ASMN1; SMN2TSHRGAA
SCHEMBL27643498 0.78 ALDH1A1 (0.36) ADRA2AADRA1AMAPTLMNAGAA
SCHEMBL14045415 0.77 CHRM1 (0.64) ADRA2AADRA1AMAPTBLMCYP2C19
SCHEMBL780253 0.77 ADRA2A (0.64) ADRA2AADRA1AMAPTBLMCYP2C19
Hydrochloric Acid SCHEMBL28778365 0.77 CHRM1 (0.61) ADRA2AADRA1AMAPTBLMCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VECTIVBIO COMET AG (CH) 2024-07-16 US disclosed
US-20230072313-A1 CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF VECTIVBIO COMET AG, F/K/A COMET THERAPEUTICS, INC. (CH) 2023-03-09 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 (2 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-20230072313-A1 CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF VNN1, VKORC1, PANK3 ADRA2A 4101/4885ADRA1A 4091/4885MAPT 4082/4885
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VNN1, VKORC1, PANK3 ADRA2A 4101/4885ADRA1A 4091/4885MAPT 4082/4885

“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.