SCHEMBL31068484

SCHEMBL31068484

[2H]C([2H])([2H])Oc1ccc(OC)cc1CCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
ADRA1A P35348 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
HTR2A P28223 2/20 0.47
HSD17B10 Q99714 1/20 0.47
AOC3 Q16853 1/20 0.45
ALDH1A1 P00352 1/20 0.44
GFER P55789 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
DYRK1A Q13627 1/20 0.42
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL30284879 0.93 IDO1 (0.50) IDO1ADRA1ATAAR1HTR2AHSD17B10
SCHEMBL1055293 0.89 IDO1 (0.61) IDO1ADRA1ATAAR1HTR2AHSD17B10
Bromide SCHEMBL27566990 0.87 IDO1 (0.59) IDO1ADRA1ATAAR1HTR2AHSD17B10
SCHEMBL5042302 0.87 IDO1 (0.59) IDO1ADRA1ATAAR1HTR2AHSD17B10
SCHEMBL30284782 0.79 ADRA1A (0.81) IDO1ADRA1ATAAR1HTR2AAOC3
SCHEMBL30284698 0.78 IDO1 (0.46) IDO1ADRA1ATAAR1HTR2AHSD17B10
SCHEMBL30284722 0.78 ADRA1A (0.63) IDO1ADRA1ATAAR1HTR2AHSD17B10
SCHEMBL30284741 0.78 ADRA1A (0.54) IDO1ADRA1ATAAR1HTR2AHSD17B10
SCHEMBL9676713 0.77 ALDH1A1 (0.51) IDO1ADRA1ATAAR1HTR2AHSD17B10
SCHEMBL7060410 0.74 ADRA1A (0.68) IDO1ADRA1ATAAR1HTR2AHSD17B10

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-20240294460-A1 DEUTERATED ANALOGS AND DERIVATIVES OF 4-BROMO-2,5-DIMETHOXYPHENETHYLAMINE AND USES THEREOF TERRAN BIOSCIENCES INC. 2024-09-05 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-20240294460-A1 DEUTERATED ANALOGS AND DERIVATIVES OF 4-BROMO-2,5-DIMETHOXYPHENETHYLAMINE AND USES THEREOF DBH, PNMT, BRD4 IDO1 1212/4885ADRA1A 469/4885TAAR1 399/4885

“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.