Mebufotenin

Mebufotenin

SCHEMBL7205139

COc1ccc2[nH]cc(CCN(C)C)c2c1.O=C(O)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Mebufotenin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 known ✓ P31645 1/20 0.73
KMT2A Q03164 1/20 1.00
HTR1D P28221 6/20 0.85
HTR1B P28222 5/20 0.85
HTR1A P08908 4/20 0.85
HTR6 P50406 3/20 0.85
CYP2D6 P10635 2/20 0.85
MTNR1A P48039 2/20 0.85
HTR3E A5X5Y0 1/20 0.85
HTR3B O95264 1/20 0.85
CYP1A2 P05177 1/20 0.85
CYP2C9 P11712 1/20 0.85
HTR2A P28223 1/20 0.85
HTR2C P28335 1/20 0.85
HTR1E P28566 1/20 0.85
HTR1F P30939 1/20 0.85
HTR7 P34969 1/20 0.85
HTR2B P41595 1/20 0.85
HTR3A P46098 1/20 0.85
HTR5A P47898 1/20 0.85

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
Oxalic Acid SCHEMBL8869617 0.93 KMT2A (0.87) KMT2AHTR1DHTR1BHTR1AHTR6
Mebufotenin SCHEMBL29351950 0.92 HTR1D (1.00) KMT2AHTR1DHTR1BHTR1AHTR6
Mebufotenin SCHEMBL27221706 0.92 HTR1D (1.00) KMT2AHTR1DHTR1BHTR1AHTR6
Mebufotenin SCHEMBL31098269 0.92 HTR1D (1.00) KMT2AHTR1DHTR1BHTR1AHTR6
Mebufotenin SCHEMBL132733 0.92 HTR1D (1.00) KMT2AHTR1DHTR1BHTR1AHTR6
Mebufotenin SCHEMBL23927938 0.92 KMT2A (0.84) KMT2AHTR1DHTR1BHTR1AHTR6
Mebufotenin SCHEMBL30199593 0.92 KMT2A (0.84) KMT2AHTR1DHTR1BHTR1AHTR6
Mebufotenin SCHEMBL26111484 0.91 HTR1D (0.97) KMT2AHTR1DHTR1BHTR1AHTR6
Mebufotenin SCHEMBL25330504 0.91 HTR1D (0.97) KMT2AHTR1DHTR1BHTR1AHTR6
Mebufotenin SCHEMBL25329816 0.90 KMT2A (0.81) KMT2AHTR1DHTR1BHTR1AHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030050226-A1 Dopamine analog amide SHASHOUA VICTOR E (US) 2003-03-13 US disclosed
US-6407137-B2 A PRODRUG COMPOUND CAPABLE OF FACILITATING THE PASSAGE OF A DRUG ACROSS THE BLOOD BRAIN BARRIER COMPRISING A FATTY ACID COUPLED TO A DRUG TO FORM A PRODRUG PROTARGA, INC. 2002-06-18 US disclosed
US-20010056116-A1 Dopamine analog amide LUITPOLD PHARMACEUTICALS, INC. 2001-12-27 US disclosed
US-6258836-B1 FATTY ACID COUPLED TO ANTIAIDS SUBSTANCE, ANTIBIOTIC, CHOLINERGIC AGONIST AND OTHER USES FOR PASSING THE BLOOD BRAIN BARRIER PROTARGA, INC. 2001-07-10 US disclosed
US-6107499-A FACILITATING THE TRANSPORT OF A NEUROTRANSMITTER ACROSS THE BLOOD BRAIN BARRIER BY ADMINISTERING THE DRUG, A NEUROTRANSMITTER SUCH AS DOPAMINE COVALENTLY COUPLED TO A SINGLE, STRAIGHT-CHAINED FATTY ACID CARRIER MOLECULE NEUROMEDICA, INC. (US) 2000-08-22 US disclosed
US-5994392-A PASSAGE OF DRUG THROUGH BLOOD BRAIN BARRIER NEUROMEDICA, INC. (US) 1999-11-30 US disclosed
EP-0871731-A2 ANTIBODIES FOR THE CONTROL OF CYST NEMATODES AND TRANSGENIC PLANTS EXPRESSING THEM Landbouwuniversiteit Wageningen (NL) 1998-10-21 EP disclosed
WO-1996022372-A2 ANTIBODIES FOR THE CONTROL OF CYST NEMATODES AND TRANSGENIC PLANTS EXPRESSING THEM LANDBOUWUNIVERSITEIT WAGENINGEN (NL) 1996-07-25 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-20010056116-A1 Dopamine analog amide FABP7, SLC6A3, ALOX15 SLC6A4 68/4885KMT2A 1312/4885HTR1D 214/4885
US-20030050226-A1 Dopamine analog amide FABP7, SLC6A3, ALOX15 SLC6A4 68/4885KMT2A 1312/4885HTR1D 214/4885

“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.