SCHEMBL25533176

SCHEMBL25533176

BC1(B)Oc2ccc(C[C@H](C)NCC)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.46
SLC6A4 P31645 5/20 0.45
ADRA2C P18825 2/20 0.43
ADRA1A P35348 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTR2A P28223 1/20 0.43
DRD3 P35462 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
ADRB2 P07550 3/20 0.42
ADRB3 P13945 3/20 0.42
ADRB1 P08588 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1B P35368 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
TAAR1 Q96RJ0 2/20 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
SCHEMBL25533321 1.00 SIGMAR1 (0.46) SIGMAR1SLC6A4ADRA2CADRA1ALMNA
SCHEMBL25446385 0.85 SIGMAR1 (0.46) SIGMAR1SLC6A4ADRA2CADRA1ALMNA
SCHEMBL25533203 0.80 TAAR1 (0.40) SLC6A4ADRA2CADRA1AADRB2ADRB3
SCHEMBL25533342 0.80 TAAR1 (0.40) SLC6A4ADRA2CADRA1AADRB2ADRB3
SCHEMBL25533535 0.79 ACACB (0.49)
SCHEMBL25533181 0.79 TAAR1 (0.40) SLC6A4ADRA2CADRA1AADRB2ADRB3
SCHEMBL25533326 0.79 TAAR1 (0.40) SLC6A4ADRA2CADRA1AADRB2ADRB3
SCHEMBL25533453 0.78 ALOX15 (0.49) SLC6A4ADRA2CADRA1AADRB2ADRB3
SCHEMBL26060350 0.78 TAAR1 (0.57) SLC6A4HTR2AHTR2BSLC6A2SLC6A3
SCHEMBL25533494 0.78 TAAR1 (0.57) SLC6A4HTR2AHTR2BSLC6A2SLC6A3

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 SIGMAR1 139/4885SLC6A4 12/4885ADRA2C 51/4885

“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.