SCHEMBL4168488

SCHEMBL4168488

C[C@@H](O)Cc1ccc2c(c1)OCO2

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.70
SLC6A4 P31645 3/20 0.70
SLC6A2 P23975 2/20 0.70
SLC6A3 Q01959 2/20 0.70
CYP3A4 P08684 3/20 0.68
CYP2D6 P10635 2/20 0.66
NPSR1 Q6W5P4 1/20 0.63
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
ATM Q13315 1/20 0.57
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL4170645 1.00 TAAR1 (0.70) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL30147114 1.00 TAAR1 (0.70) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL4168491 1.00 TAAR1 (0.70) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL14199081 0.89 TAAR1 (0.56) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL27494557 0.87 SLC6A3 (0.55) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL25200234 0.86 CYP3A4 (0.55) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL19342841 0.86 TAAR1 (0.66) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL25190561 0.86 CYP3A4 (0.55) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4
Machilin A SCHEMBL30678762 0.85 TAAR1 (0.74) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4
Machilin A SCHEMBL31237868 0.85 TAAR1 (0.74) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119998433-A Method for producing R-MDMA 思维医学股份有限公司 2025-05-13 CN claimed
US-20240010628-A1 METHODS OF MANUFACTURE OF R-MDMA Mind Medicine, Inc. (US) 2024-01-11 US claimed
EP-4551680-A2 METHODS OF MANUFACTURE OF R-MDMA Mind Medicine, Inc. (US) 2025-05-14 EP disclosed
CN-119998433-A Method for producing R-MDMA 思维医学股份有限公司 2025-05-13 CN disclosed
US-20240010628-A1 METHODS OF MANUFACTURE OF R-MDMA Mind Medicine, Inc. (US) 2024-01-11 US disclosed
WO-2024011067-A2 METHODS OF MANUFACTURE OF R-MDMA Mind Medicine, Inc. (US) 2024-01-11 WO 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-20230150966-A1 ISOTOPICALLY ENRICHED 3,4-METHYLENEDIOXY-N-ETHYLAMPHETAMINE (MDE) AND STEREOISOMERS THEREOF TERRAN BIOSCIENCES INC (US) 2023-05-18 US disclosed
WO-2023081897-A1 ISOTOPICALLY ENRICHED 3,4-METHYLENEDIOXY-N-ETHYLAMPHETAMINE (MDE) AND STEREOISOMERS THEREOF TERRAN BIOSCIENCES, INC. (US) 2023-05-11 WO disclosed
US-20090233913-A1 OPTICAL ISOMERS OF DIHYDRO-2,3-BENZODIAZEPINES AND THEIR STEREOSELECTIVE SYNTHESIS EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2009-09-17 US disclosed
EP-1979308-A1 OPTICAL ISOMERS OF DIHYDRO-2,3-BENZODIAZEPINES AND THEIR STEREOSELECTIVE SYNTHESIS EGIS Gyógyszergyár Nyrt (HU) 2008-10-15 EP disclosed
WO-2007077469-A1 OPTICAL ISOMERS OF DIHYDRO-2,3-BENZODIAZEPINES AND THEIR STEREOSELECTIVE SYNTHESIS EGIS GYÓGYSZERGYÁR (HU) 2007-07-12 WO 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-20090233913-A1 OPTICAL ISOMERS OF DIHYDRO-2,3-BENZODIAZEPINES AND THEIR STEREOSELECTIVE SYNTHESIS GABRA2, GABRA3, GABRB2 TAAR1 1606/4885SLC6A4 1543/4885SLC6A2 1275/4885
US-20230150966-A1 ISOTOPICALLY ENRICHED 3,4-METHYLENEDIOXY-N-ETHYLAMPHETAMINE (MDE) AND STEREOISOMERS THEREOF SLC6A3, DBH, PNMT TAAR1 103/4885SLC6A4 12/4885SLC6A2 10/4885

“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.