SCHEMBL25304500

SCHEMBL25304500

CCN(C(=O)O)C(C)Cc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.54
SLC6A4 P31645 3/20 0.54
SLC6A2 P23975 2/20 0.54
SLC6A3 Q01959 2/20 0.54
CYP2D6 P10635 2/20 0.51
CYP3A4 P08684 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ATM Q13315 1/20 0.46
TRPM8 Q7Z2W7 1/20 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
SCHEMBL25313157 1.00 TAAR1 (0.54) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL25314071 0.90 TAAR1 (0.54) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL25314069 0.90 TAAR1 (0.54) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL25901210 0.90 TAAR1 (0.54) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL25900640 0.90 TAAR1 (0.54) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL25901212 0.88 TAAR1 (0.52) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL25900620 0.88 TAAR1 (0.52) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL25900937 0.88 TAAR1 (0.50) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL25905937 0.87 TAAR1 (0.51) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6
SCHEMBL25900938 0.87 TAAR1 (0.48) TAAR1SLC6A4SLC6A2SLC6A3CYP2D6

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-20250026731-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF EMPATHBIO INC (US) 2025-01-23 US disclosed
US-11845736-B2 Prodrugs of MDMA, MDA, and derivatives thereof EMPATHBIO, INC. (US) 2023-12-19 US disclosed
WO-2023137446-A1 PRODRUGS OF 3,4-METHYLENEDIOXY- N-ETHYL-AMPHETAMINE (MDEA) AND USES THEREOF TERRAN BIOSCIENCES INC. (US) 2023-07-20 WO disclosed
US-20230227420-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF EMPATHBIO, INC. 2023-07-20 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 (3 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-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.