SCHEMBL24746503

SCHEMBL24746503

OC1CCN(CCc2c[nH]c3ccccc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.74
ADRA2A P08913 1/20 0.65
ADRA2B P18089 1/20 0.65
ADRA2C P18825 1/20 0.65
ADRA1D P25100 1/20 0.65
ADRA1A P35348 1/20 0.65
ADRA1B P35368 1/20 0.65
HTR1A P08908 3/20 0.65
HDAC8 Q9BY41 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
DRD2 P14416 3/20 0.57
DRD4 P21917 3/20 0.57
DRD3 P35462 3/20 0.57
DRD1 P21728 1/20 0.56
DRD5 P21918 1/20 0.56
BCHE P06276 1/20 0.55
CYP2D6 P10635 1/20 0.55
HTR1D P28221 1/20 0.55
HTR1B P28222 1/20 0.55

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
SCHEMBL11767373 0.93 HTR2A (0.64) HTR2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL6465788 0.88 HTR2A (0.88) HTR2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL7954617 0.87 HTR2A (0.72) HTR2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL5339006 0.87 DRD2 (0.75) HTR2AADRA2AADRA2BADRA2CADRA1D
Water SCHEMBL11547148 0.86 HTR2A (0.70) HTR2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL24746495 0.85 ADRA2A (0.69) HTR2AADRA2AADRA2BADRA2CADRA1D
SCHEMBL25295661 0.85 HTR2A (1.00) HTR2AHTR1ADRD2DRD4DRD3
SCHEMBL29543272 0.85 HTR2A (0.94) HTR2AHTR1ADRD2DRD4DRD3
SCHEMBL733629 0.85 HTR2A (0.94) HTR2AHTR1ADRD2DRD4DRD3
SCHEMBL11333398 0.85 DRD2 (0.76) HTR2AADRA2AADRA2BADRA2CADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357146-A1 PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE ATAI THERAPEUTICS, INC. 2023-11-09 US disclosed
US-20230357146-A1 PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE ATAI THERAPEUTICS, INC. 2023-11-09 US disclosed
US-11643391-B2 Prodrugs and conjugates of dimethyltryptamine ATAI THERAPEUTICS, INC. 2023-05-09 US disclosed
US-11643391-B2 Prodrugs and conjugates of dimethyltryptamine ATAI THERAPEUTICS, INC. 2023-05-09 US disclosed
US-20230041584-A1 NOVEL PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE ATAI THERAPEUTICS, INC. 2023-02-09 US disclosed
WO-2022261383-A1 NOVEL PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE ATAI Life Sciences AG (DE) 2022-12-15 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 (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-20230041584-A1 NOVEL PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE NPY1R, NPY5R, HTR1A HTR2A 13/4885ADRA2A 126/4885ADRA2B 127/4885
US-20230357146-A1 PRODRUGS AND CONJUGATES OF DIMETHYLTRYPTAMINE NPY1R, NPY5R, NPY2R HTR2A 12/4885ADRA2A 115/4885ADRA2B 131/4885
US-11643391-B2 Prodrugs and conjugates of dimethyltryptamine NPY1R, NPY5R, NPY2R HTR2A 12/4885ADRA2A 115/4885ADRA2B 131/4885

“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.