SCHEMBL25533203

SCHEMBL25533203

BC(B)(C)N[C@@H](C)Cc1ccc2c(c1)OC(B)(B)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CYP2D6 P10635 1/20 0.40
ALOX15 P16050 3/20 0.40
ALOX12 P18054 1/20 0.40
ADRB2 P07550 3/20 0.36
ADRB3 P13945 3/20 0.36
ADRB1 P08588 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
HTR1B P28222 4/20 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
SCHEMBL25533342 1.00 TAAR1 (0.40) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL25533181 0.88 TAAR1 (0.40) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL25533326 0.88 TAAR1 (0.40) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL25533321 0.80 SIGMAR1 (0.46) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL25533176 0.80 SIGMAR1 (0.46) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL25533194 0.79 TAAR1 (0.67) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL25533340 0.79 TAAR1 (0.67) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL25533453 0.76 ALOX15 (0.49) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL25533494 0.76 TAAR1 (0.57) TAAR1SLC6A2SLC6A4SLC6A3ALOX15
SCHEMBL26060350 0.76 TAAR1 (0.57) TAAR1SLC6A2SLC6A4SLC6A3ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150966-A1 ISOTOPICALLY ENRICHED 3,4-METHYLENEDIOXY-N-ETHYLAMPHETAMINE (MDE) AND STEREOISOMERS THEREOF TERRAN BIOSCIENCES INC (US) 2023-05-18 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 (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-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.