SCHEMBL4170645

SCHEMBL4170645

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
SCHEMBL4168488 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 31 patents — showing the first 20. 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
US-6160133-A Synthesis of (S)-α-methyl-1,3-benzodioxole-5-ethanol and derivatives ELI LILLY AND COMPANY (US) 2000-12-12 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
WO-2024011067-A2 METHODS OF MANUFACTURE OF R-MDMA Mind Medicine, Inc. (US) 2024-01-11 WO disclosed
US-20240010628-A1 METHODS OF MANUFACTURE OF R-MDMA Mind Medicine, Inc. (US) 2024-01-11 US disclosed
EP-3225616-A1 ALPHA-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Northwest University (CN) 2017-10-04 EP disclosed
US-20170260122-A1 a-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF NORTHWEST UNIVERSITY (CN) 2017-09-14 US 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-1593683-A2 Dihydro-2,3-Benzodiazepine derivatives ELI LILLY AND COMPANY (US) 2005-11-09 EP disclosed
US-5919954-A CYCLIZATION OF CHEMICAL INTERMEDIATES; HIGH ENANTIOMORPHIC PURITY ELI LILLY AND COMPANY (US) 1999-07-06 US disclosed
US-5795886-A ANTICONVULSANTS ELI LILLY AND COMPANY (US) 1998-08-18 US disclosed
US-5665878-A Stereoselective process for producing dihydro-2,3-benzodiazepine derivatives ELI LILLY AND COMPANY (US) 1997-09-09 US disclosed
EP-0771198-A4 1997-05-28 EP disclosed
EP-0771198-A1 DIHYDRO-2,3-BENZODIAZEPINE DERIVATIVES ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996006606-A1 DIHYDRO-2,3-BENZODIAZEPINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-03-07 WO disclosed
EP-0699678-A1 Crystalline form of dihydro-2,3-benzodiazepine derivative ELI LILLY AND COMPANY (US) 1996-03-06 EP disclosed
EP-0699677-A1 Stereoselective process for producing dihydro-2,3-benzodiazepine derivatives ELI LILLY AND COMPANY (US) 1996-03-06 EP disclosed
EP-0699676-A1 Physical form of dihidro-2,3-benzodiazepine derivative ELI LILLY AND COMPANY (US) 1996-03-06 EP 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-20170260122-A1 a-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF LSS, CYP51A1, BACE1 TAAR1 664/4885SLC6A4 268/4885SLC6A2 446/4885

“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.