SCHEMBL4168491

SCHEMBL4168491

CC(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
SCHEMBL4170645 1.00 TAAR1 (0.70) TAAR1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL30147114 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 81 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240010628-A1 METHODS OF MANUFACTURE OF R-MDMA Mind Medicine, Inc. (US) 2024-01-11 US claimed
CN-102617543-A Synthesis methods for piperonyl ethanol and derivatives thereof UNIV TIANJIN SCIENCE & TECH 2012-08-01 CN 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
US-12600708-B2 Prodrug compounds of 3,4-methylenedioxymethamphetamine (MDMA) and methods of synthesizing the same APOAPSIS HOLDINGS, LLC (US) 2026-04-14 US disclosed
US-12570621-B2 Short-acting 3,4-methylenedioxymethamphetamine (MDMA) analogs incorporating benzothiazole APOAPSIS HOLDINGS, LLC (US) 2026-03-10 US disclosed
US-12569466-B2 Short-acting psychoactive compounds of the MDMA class APOAPSIS HOLDINGS, LLC (US) 2026-03-10 US disclosed
EP-4583865-A1 SHORT-ACTING 3,4-METHYLENEDIOXYMETHAMPHETAMINE (MDMA) ANALOGS INCORPORATING BENZOTHIAZOLE Mydecine Innovations Group Inc. (US) 2025-07-16 EP disclosed
US-20240400526-A9 SHORT-ACTING 3,4-METHYLENEDIOXYMETHAMPHETAMINE (MDMA) ANALOGS INCORPORATING BENZOTHIAZOLE MYDECINE INNOVATIONS GROUP INC (US) 2024-12-05 US disclosed
US-20240197679-A1 NOVEL SHORT-ACTING PSYCHOACTIVE COMPOUNDS OF THE MDMA CLASS Altrartis Therapeutics Inc. 2024-06-20 US disclosed
US-20240092747-A1 SHORT-ACTING 3,4-METHYLENEDIOXYMETHAMPHETAMINE (MDMA) ANALOGS INCORPORATING BENZOTHIAZOLE Altrartis Therapeutics Inc. 2024-03-21 US disclosed
WO-2024054279-A1 SHORT-ACTING 3,4-METHYLENEDIOXYMETHAMPHETAMINE (MDMA) ANALOGS INCORPORATING BENZOTHIAZOLE MYDECINE INNOVATIONS GROUP INC. (US) 2024-03-14 WO disclosed
CN-1123282-A Stereoselective process for producing dihydro-2,3-benzodiazepine derivatives LILLY CO ELI (US) 1996-05-29 CN 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-0699676-A1 Physical form of dihidro-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
CN-86100669-A The synthetic organic polymers that is used for selective flocculating floatation of titanium and iron ores 1987-08-05 CN disclosed
EP-0004929-B1 INSECTICIDAL AND ACARICIDAL COMPOSITIONS COMPRISING ISOCHROMAN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BAYER AG (DE) 1981-04-08 EP disclosed
US-4247560-A 6,7-Methylenedioxy-isochromane arthropodicide synergizing agents BAYER AKTIENGESELLSCHAFT (DE) 1981-01-27 US disclosed
EP-0004929-A2 Insecticidal and acaricidal compositions comprising isochroman derivatives, process for their preparation and application BAYER AG (DE) 1979-10-31 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 (6 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-12570621-B2 Short-acting 3,4-methylenedioxymethamphetamine (MDMA) analogs incorporating benzothiazole SLC6A3, SLC6A2, HTR2C TAAR1 20/4885SLC6A4 21/4885SLC6A2 2/4885
US-20240197679-A1 NOVEL SHORT-ACTING PSYCHOACTIVE COMPOUNDS OF THE MDMA CLASS PNMT, HTR2C, SLC18A2 TAAR1 24/4885SLC6A4 10/4885SLC6A2 16/4885
US-12600708-B2 Prodrug compounds of 3,4-methylenedioxymethamphetamine (MDMA) and methods of synthesizing the same OPRM1, DRD3, SLC6A3 TAAR1 39/4885SLC6A4 28/4885SLC6A2 16/4885
US-20240400526-A9 SHORT-ACTING 3,4-METHYLENEDIOXYMETHAMPHETAMINE (MDMA) ANALOGS INCORPORATING BENZOTHIAZOLE HTR3B, HTR3C, HTR3E TAAR1 39/4885SLC6A4 16/4885SLC6A2 24/4885
US-20240092747-A1 SHORT-ACTING 3,4-METHYLENEDIOXYMETHAMPHETAMINE (MDMA) ANALOGS INCORPORATING BENZOTHIAZOLE HTR3B, HTR3C, HTR3E TAAR1 39/4885SLC6A4 16/4885SLC6A2 24/4885
US-12569466-B2 Short-acting psychoactive compounds of the MDMA class HTR2C, SLC6A2, DRD2 TAAR1 31/4885SLC6A4 10/4885SLC6A2 2/4885

“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.