SCHEMBL30169770

SCHEMBL30169770

CC(Cc1ccc2c(c1)OCO2)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.49
SLC6A4 P31645 3/20 0.49
SLC6A2 P23975 2/20 0.49
SLC6A3 Q01959 2/20 0.49
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 2/20 0.47
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL24883777 1.00 TAAR1 (0.49) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL25132039 1.00 TAAR1 (0.49) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL24883793 0.89 TAAR1 (0.43) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL30169709 0.89 TAAR1 (0.43) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL24884052 0.88 TAAR1 (0.45) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL24883796 0.88 TAAR1 (0.45) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL25260058 0.86 TAAR1 (0.53) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL25311529 0.86 TAAR1 (0.47) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL25311533 0.86 TAAR1 (0.47) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL24883652 0.85 TAAR1 (0.44) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250152553-A1 CARBAMOTHIOATE, AND CARBAMODITHIOATE DERIVATIVES OF MDMA, MDA OR ITS OPTICALLY ACTIVE (R)- OR (S)-MDMA AND MDA ISOMERS EMPATHBIO, INC. 2025-05-15 US disclosed
WO-2025096895-A1 CARBAMOTHIOATE, AND CARBAMODITHIOATE DERIVATIVES OF MDMA, MDA OR ITS OPTICALLY ACTIVE ( R)- OR ( S)-MDMA AND MDA ISOMERS EMPATHBIO, INC. (US) 2025-05-08 WO disclosed
US-20250026731-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF EMPATHBIO INC (US) 2025-01-23 US disclosed
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
US-11845736-B2 Prodrugs of MDMA, MDA, and derivatives thereof EMPATHBIO, INC. (US) 2023-12-19 US disclosed
US-20230227420-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF EMPATHBIO, INC. 2023-07-20 US 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 (5 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-11845736-B2 Prodrugs of MDMA, MDA, and derivatives thereof COMT, PNMT, ABCB1 TAAR1 120/4885SLC6A4 29/4885SLC6A2 41/4885
US-20230227420-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF COMT, PNMT, ABCB1 TAAR1 120/4885SLC6A4 29/4885SLC6A2 41/4885
US-20240317724-A1 3,4-METHYLENEDIOXYMETHAMPHETAMINE AND RELATED PSYCHEDELICS AND USES THEREOF PNMT, HTR3A, HTR2C TAAR1 41/4885SLC6A4 17/4885SLC6A2 21/4885
US-20250152553-A1 CARBAMOTHIOATE, AND CARBAMODITHIOATE DERIVATIVES OF MDMA, MDA OR ITS OPTICALLY ACTIVE (R)- OR (S)-MDMA AND MDA ISOMERS DDT, PNMT, CES2 TAAR1 154/4885SLC6A4 111/4885SLC6A2 402/4885
US-20250026731-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF COMT, PNMT, ABCB1 TAAR1 120/4885SLC6A4 29/4885SLC6A2 41/4885

“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.