SCHEMBL31066854

SCHEMBL31066854

C[N+](C)(CCc1c[nH]c2cccc(OP(=O)(O)O)c12)COP(=O)([O-])O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 8/20 0.60
▸ HTR2C P28335 4/20 0.60
▸ HTR2B P41595 3/20 0.60
▸ HTR1A P08908 2/20 0.60
▸ MTNR1A P48039 1/20 0.40
▸ MTNR1B P49286 1/20 0.40
▸ HTR6 P50406 2/20 0.39
▸ SCN5A Q14524 1/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ HTR1D P28221 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR1E P28566 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ HTR5A P47898 1/20 0.33

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
SCHEMBL25541553 0.84 HTR2A (0.70) HTR2AHTR2CHTR2BHTR1AMTNR1A
SCHEMBL31742680 0.84 HTR2A (0.70) HTR2AHTR2CHTR2BHTR1AMTNR1A
SCHEMBL25459268 0.84 HTR2A (0.55) HTR2AHTR2CHTR2BHTR1AMTNR1A
SCHEMBL25459270 0.83 HTR2A (0.54) HTR2AHTR2CHTR2BHTR1AMTNR1A
SCHEMBL20970923 0.82 HTR2A (0.58) HTR2AHTR2CHTR2BHTR1AMTNR1A
SCHEMBL29633100 0.82 HTR2A (0.58) HTR2AHTR2CHTR2BHTR1AMTNR1A
SCHEMBL20898335 0.82 HTR2A (0.61) HTR2AHTR2CHTR2BHTR1AMTNR1A
SCHEMBL30681648 0.80 HTR2A (0.51) HTR2AHTR2CHTR2BHTR1AMTNR1A
SCHEMBL26479058 0.80 POLB (0.47) HTR2AHTR2CHTR2BHTR1AHTR6
SCHEMBL25459274 0.79 HTR2A (0.59) HTR2AHTR2CHTR2BHTR1AMTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287107-A1 PRODRUGS OF DIMETHYLTRYPTAMINE AND DERIVATIVES THEREOF ATAI THERAPEUTICS INC (US) 2024-08-29 — — 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 (1 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-20240287107-A1 PRODRUGS OF DIMETHYLTRYPTAMINE AND DERIVATIVES THEREOF HTR2B, TPH1, MAOB HTR2A 13/4885HTR2C 27/4885HTR2B 1/4885

“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.

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