SCHEMBL13320195

SCHEMBL13320195

[2H]c1cc(C([2H])([2H])[2H])ncc1C=Cn1c2c(c3cc(C([2H])([2H])[2H])ccc31)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.41
ADRA2A P08913 2/20 0.40
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HTR7 P34969 2/20 0.40
ADRA1A P35348 2/20 0.40
HRH1 P35367 2/20 0.40
KRAS P01116 3/20 0.40
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
MKNK1 Q9BUB5 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
BCHE P06276 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ACHE P22303 1/20 0.33
HRH2 P25021 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
SCHEMBL13320213 0.94 HTR6 (0.44) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL2832508 0.86 HTR6 (0.52) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL2834850 0.86 HTR6 (0.52) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL13320219 0.82 KRAS (0.40) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL13320237 0.82 KRAS (0.40) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL13320200 0.81 HRH1 (0.49) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL13320214 0.80 HRH1 (0.57) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL13320242 0.78 HDAC6 (0.47) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL13320228 0.78 KRAS (0.42) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL13320239 0.75 HRH1 (0.49) HTR6ADRA2ADRD2HTR2AHTR2C

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-20100125085-A1 PYRIDOINDOLE MODULATORS OF NMDA RECEPTOR AND ACETYLCHOLINESTERASE AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-20 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-20100125085-A1 PYRIDOINDOLE MODULATORS OF NMDA RECEPTOR AND ACETYLCHOLINESTERASE GRIN3A, GRIK5, CHRNA5 HTR6 281/4885ADRA2A 501/4885DRD2 432/4885

“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.