Mebufotenin

Mebufotenin

SCHEMBL23927938

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

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRB1ADRB2ATP4AATP4BAXLCHRM2CHRM3DRD2FLT3HRH1HTR2AHTR2BHTR2CKCNH2KMT2AMAP2K1MAP2K2MEN1MLNRPLK4RENS1PR1SLC6A2SLC6A4atpAatpBatpCatpDatpEatpFatpFHatpGpol

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
KMT2A known ✓ Q03164 1/20 0.84
HTR2A known ✓ P28223 3/20 0.79
HTR2C known ✓ P28335 3/20 0.79
HTR2B known ✓ P41595 3/20 0.79
SLC6A4 known ✓ P31645 2/20 0.68
HRH1 known ✓ P35367 2/20 0.67
SLC6A2 known ✓ P23975 1/20 0.63
HTR1D P28221 8/20 0.79
HTR1B P28222 8/20 0.79
HTR1A P08908 7/20 0.79
HTR6 P50406 4/20 0.79
HTR7 P34969 3/20 0.79
HTR5A P47898 3/20 0.79
HTR1E P28566 2/20 0.79
CYP1A2 P05177 2/20 0.79
HTR3E A5X5Y0 1/20 0.79
HTR3B O95264 1/20 0.79
CYP2D6 P10635 1/20 0.79
CYP2C9 P11712 1/20 0.79
HTR1F P30939 1/20 0.79

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
Mebufotenin SCHEMBL30199593 1.00 KMT2A (0.84) KMT2AHTR1DHTR1BHTR1AHTR6
Mebufotenin SCHEMBL7205139 0.92 KMT2A (1.00) KMT2AHTR1DHTR1BHTR1AHTR6
Fumaric Acid SCHEMBL29435351 0.91 HTR6 (0.79) KMT2AHTR1DHTR1BHTR1AHTR6
Fumaric Acid SCHEMBL23927856 0.91 HTR6 (0.79) KMT2AHTR1DHTR1BHTR1AHTR6
Mebufotenin SCHEMBL27221706 0.89 HTR1D (1.00) KMT2AHTR1DHTR1BHTR1AHTR6
Mebufotenin SCHEMBL132733 0.89 HTR1D (1.00) KMT2AHTR1DHTR1BHTR1AHTR6
Mebufotenin SCHEMBL31098269 0.89 HTR1D (1.00) KMT2AHTR1DHTR1BHTR1AHTR6
Mebufotenin SCHEMBL29351950 0.89 HTR1D (1.00) KMT2AHTR1DHTR1BHTR1AHTR6
Mebufotenin SCHEMBL25344818 0.89 HTR1A (0.68) KMT2AHTR1DHTR1BHTR1AHTR6
Fumaric Acid SCHEMBL30729598 0.88 HTR1A (0.69) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220251040-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-08-11 US disclosed
US-11254640-B2 N-substituted indoles and other heterocycles for treating brain disorders THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-02-22 US disclosed
US-20210332012-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA CORPORATION 2021-10-28 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 (3 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-11254640-B2 N-substituted indoles and other heterocycles for treating brain disorders TPH2, AANAT, HTR2C KMT2A 542/4885HTR2A 5/4885HTR2C 3/4885
US-20220251040-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS TPH2, AANAT, HTR2C KMT2A 542/4885HTR2A 5/4885HTR2C 3/4885
US-20210332012-A1 N-SUBSTITUTED INDOLES AND OTHER HETEROCYCLES FOR TREATING BRAIN DISORDERS TPH2, AANAT, HTR2C KMT2A 542/4885HTR2A 5/4885HTR2C 3/4885

“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.