SCHEMBL16699532

SCHEMBL16699532

CC(=O)On1cnc2c(C)c(NC3=NCCN3)cc(C#N)c21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 9/20 0.40
ADRA2B P18089 8/20 0.40
ADRA2C P18825 8/20 0.40
ADRA1D P25100 8/20 0.40
ADRA1A P35348 7/20 0.40
ADRA1B P35368 7/20 0.40
HTR1D P28221 4/20 0.34
HTR1B P28222 3/20 0.34
HTR7 P34969 2/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TMEM97 Q5BJF2 1/20 0.32

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
SCHEMBL6579184 0.82 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL4639186 0.76 ADRA2A (0.38) ADRA2AADRA2BADRA2CADRA1DADRA1A
Acetic Acid SCHEMBL16699530 0.75 ADRA2A (0.42) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6582501 0.74 ADRA2A (0.39) ADRA2AADRA2BADRA2CADRA1DADRA1A
Acetic Acid SCHEMBL4639185 0.73 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL4639205 0.71 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7743446 0.70 ADRA2A (0.52) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL7210059 0.70 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL4638692 0.69 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6579371 0.69 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015073736-A1 METHODS AND COMPOSITIONS FOR TREATING ADHD ARBOR PHARMACEUTICALS, LLC (US) 2015-05-21 WO disclosed
WO-2015073736-A1 METHODS AND COMPOSITIONS FOR TREATING ADHD ARBOR PHARMACEUTICALS, LLC (US) 2015-05-21 WO disclosed
US-20150133516-A1 Methods and Compositions for Treating ADHD ARBOR PHARMACEUTICALS, INC. 2015-05-14 US disclosed
US-20150133516-A1 Methods and Compositions for Treating ADHD ARBOR PHARMACEUTICALS, INC. 2015-05-14 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-20150133516-A1 Methods and Compositions for Treating ADHD ADRA2C, ADRA2A, ADRB2 ADRA2A 2/4885ADRA2B 4/4885ADRA2C 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.