SCHEMBL29228017

SCHEMBL29228017

CC(=O)OCC(C)(C)CC(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37
HSD17B10 Q99714 3/20 0.37
SERPINE1 P05121 1/20 0.32
KDM4E B2RXH2 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
GAA P10253 2/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRNB2 P17787 1/20 0.31
TBXA2R P21731 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA7 P36544 1/20 0.31
CHRNA4 P43681 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10205814 0.82 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10SERPINE1CHRM5
SCHEMBL14627793 0.81 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10SERPINE1CHRM5
SCHEMBL20054129 0.80 KDM4E (0.46) ALDH1A1LMNAHSD17B10SERPINE1KDM4E
SCHEMBL15413035 0.78 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10SERPINE1CHRM5
SCHEMBL9116011 0.78 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10SERPINE1CHRM5
SCHEMBL15898499 0.77 KDM4E (0.43) ALDH1A1LMNAHSD17B10SERPINE1KDM4E
SCHEMBL20825380 0.77 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10SERPINE1CHRM5
SCHEMBL16280996 0.75 KDM4E (0.42) ALDH1A1LMNAHSD17B10KDM4ECHRM1
SCHEMBL10165854 0.75 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10SERPINE1TSHR
SCHEMBL20245603 0.75 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10SERPINE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317724-A1 3,4-METHYLENEDIOXYMETHAMPHETAMINE AND RELATED PSYCHEDELICS AND USES THEREOF TERRAN BIOSCIENCES INC (US) 2024-09-26 US disclosed
EP-4366715-A1 3,4-METHYLENEDIOXYMETHAMPHETAMINE AND RELATED PSYCHEDLICS AND USES THEREOF Terran Biosciences, Inc. (US) 2024-05-15 EP disclosed
CN-117897149-A 3, 4-methylenedioxymethamphetamine and related hallucinogens and uses thereof 人类生物科学股份有限公司 2024-04-16 CN disclosed
WO-2023283373-A1 3,4-METHYLENEDIOXYMETHAMPHETAMINE AND RELATED PSYCHEDLICS AND USES THEREOF TERRAN BIOSCIENCES INC. (US) 2023-01-12 WO 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-20240317724-A1 3,4-METHYLENEDIOXYMETHAMPHETAMINE AND RELATED PSYCHEDELICS AND USES THEREOF PNMT, HTR3A, HTR2C ALDH1A1 1174/4885LMNA 1426/4885HSD17B10 1819/4885

“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.