SCHEMBL2832508

SCHEMBL2832508

Cc1ccc2c(c1)c1c(n2C=Cc2ccc(C)nc2)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 11/20 0.52
ADRA2A P08913 2/20 0.48
DRD2 P14416 2/20 0.48
HTR2A P28223 2/20 0.48
HTR2C P28335 2/20 0.48
HTR7 P34969 2/20 0.48
ADRA1A P35348 2/20 0.48
HRH1 P35367 2/20 0.48
BCHE P06276 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
ACHE P22303 1/20 0.43
HRH2 P25021 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1E P28566 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD3 P35462 1/20 0.43
HTR2B P41595 1/20 0.43
HTR5A P47898 1/20 0.43

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
SCHEMBL2834850 1.00 HTR6 (0.52) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL13320213 0.92 HTR6 (0.44) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL13320228 0.88 KRAS (0.42) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL2836080 0.88 HTR6 (0.57) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL2836077 0.88 HTR6 (0.57) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL3421812 0.86 HTR6 (0.49) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL13320195 0.86 HTR6 (0.41) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL13320219 0.85 KRAS (0.40) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL13320237 0.85 KRAS (0.40) HTR6ADRA2ADRD2HTR2AHTR2C
SCHEMBL2833189 0.81 HRH1 (0.68) 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.