SCHEMBL25858236

SCHEMBL25858236

COc1ccc(CN[C@H](C)Cc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.60
SLC6A2 P23975 2/20 0.60
SLC6A4 P31645 2/20 0.60
SLC6A3 Q01959 2/20 0.60
CYP2D6 P10635 1/20 0.60
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 1/20 0.59
TSHR P16473 1/20 0.59
GPR55 Q9Y2T6 2/20 0.55
TP53 P04637 2/20 0.55
HTR1A P08908 1/20 0.55
CNR1 P21554 1/20 0.55
HTR7 P34969 1/20 0.55
HTR6 P50406 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
BLM P54132 1/20 0.54

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
SCHEMBL31468730 0.85 TAAR1 (0.65) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5299284 0.85 TAAR1 (0.65) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL5294687 0.81 TAAR1 (0.70) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL1042326 0.81 KMT2A (0.66) ALDH1A1KDM4ETSHRGPR55TP53
SCHEMBL25188324 0.79 TAAR1 (0.72) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL715096 0.79 TAAR1 (0.72) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL30434262 0.79 TAAR1 (0.72) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL30503037 0.79 TAAR1 (0.72) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL29350327 0.79 TAAR1 (0.72) TAAR1SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL896903 0.79 TAAR1 (0.72) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20230227420-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF COMT, PNMT, ABCB1 TAAR1 120/4885SLC6A2 41/4885SLC6A4 29/4885

“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.