SCHEMBL25533494

SCHEMBL25533494

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.57
SLC6A2 P23975 3/20 0.57
SLC6A3 Q01959 2/20 0.57
SLC6A4 P31645 1/20 0.57
PNMT P11086 2/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45

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
SCHEMBL26060350 1.00 TAAR1 (0.57) TAAR1SLC6A2SLC6A3SLC6A4PNMT
SCHEMBL3278227 0.85 ALOX15 (0.61) TAAR1SLC6A2SLC6A3SLC6A4PNMT
SCHEMBL26055335 0.83 TAAR1 (0.57) TAAR1SLC6A2SLC6A3SLC6A4PNMT
SCHEMBL30119610 0.83 TAAR1 (0.57) TAAR1SLC6A2SLC6A3SLC6A4PNMT
SCHEMBL25533453 0.83 ALOX15 (0.49) TAAR1SLC6A2SLC6A3SLC6A4ALOX15
Hydrochloric Acid SCHEMBL31070400 0.82 TAAR1 (0.55) TAAR1SLC6A2SLC6A3SLC6A4PNMT
SCHEMBL8733806 0.80 ADRB2 (0.54) TAAR1SLC6A2SLC6A3SLC6A4PNMT
SCHEMBL8733813 0.80 ADRB2 (0.54) TAAR1SLC6A2SLC6A3SLC6A4PNMT
SCHEMBL25533176 0.78 SIGMAR1 (0.46) TAAR1SLC6A2SLC6A3SLC6A4ALOX15
SCHEMBL25533321 0.78 SIGMAR1 (0.46) TAAR1SLC6A2SLC6A3SLC6A4ALOX15

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 10/4885SLC6A3 1/4885

“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.