SCHEMBL11745127

SCHEMBL11745127

CC(=O)NC(C)Cc1ccc2c(c1)OCO2

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.67
SLC6A2 P23975 2/20 0.67
SLC6A4 P31645 2/20 0.67
SLC6A3 Q01959 2/20 0.67
CYP2D6 P10635 2/20 0.67
ACACB O00763 5/20 0.64
CYP3A4 P08684 2/20 0.55
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL26238861 1.00 TAAR1 (0.67) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL25201048 1.00 TAAR1 (0.67) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL25215944 0.91 TAAR1 (0.62) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL25215945 0.91 TAAR1 (0.62) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL25391470 0.89 TAAR1 (0.67) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL26983120 0.89 TAAR1 (0.67) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL25391472 0.89 TAAR1 (0.67) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL10842792 0.87 TAAR1 (0.65) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL25132152 0.86 TAAR1 (0.63) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL25858222 0.86 TAAR1 (0.63) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208920-A1 SYNTHESIS OF MDA OR ITS OPTICALLY ACTIVE (R)- OR (S)-MDA ISOMERS EMPATHBIO, INC. 2024-06-27 US disclosed
US-20230150966-A1 ISOTOPICALLY ENRICHED 3,4-METHYLENEDIOXY-N-ETHYLAMPHETAMINE (MDE) AND STEREOISOMERS THEREOF TERRAN BIOSCIENCES INC (US) 2023-05-18 US disclosed
US-4065473-A Intermediates in the preparation of 2,3,4,5-tetrahydro-1H-3-benzazepines HOFFMANN-LA ROCHE INC. (US) 1977-12-27 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-20240208920-A1 SYNTHESIS OF MDA OR ITS OPTICALLY ACTIVE (R)- OR (S)-MDA ISOMERS COMT, PNMT, DDT TAAR1 149/4885SLC6A2 150/4885SLC6A4 109/4885
US-20230150966-A1 ISOTOPICALLY ENRICHED 3,4-METHYLENEDIOXY-N-ETHYLAMPHETAMINE (MDE) AND STEREOISOMERS THEREOF SLC6A3, DBH, PNMT TAAR1 103/4885SLC6A2 10/4885SLC6A4 12/4885

“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.