SCHEMBL5448129

SCHEMBL5448129

CC(C)N(C)Cc1cc[c]cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
PYCR1 P32322 2/20 0.38
TSHR P16473 2/20 0.35
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
AOC3 Q16853 1/20 0.31
MAOB P27338 1/20 0.31
PARP1 P09874 1/20 0.31
HPGD P15428 1/20 0.30
HDAC1 Q13547 1/20 0.30

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
SCHEMBL21127229 0.84 ADRA2B (0.50) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL2090825 0.80 HDAC1 (0.46) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL6634552 0.79 ADRA2B (0.44) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL5317420 0.77 PTGES (0.42) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL530326 0.77 ADRA2B (0.67) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL162718 0.77 HRH3 (0.56) TSHRHRH3ALDH1A1AOC3HDAC6
SCHEMBL14174895 0.76 MEN1 (0.47) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL13588644 0.76 PYCR1 (0.47) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL1476591 0.75 TAAR1 (0.31) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL27625032 0.75 HRH3 (0.54) TSHRHRH3ALDH1A1AOC3HDAC6

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-20070072911-A1 Indoles and azaindoles as antiviral agents AVOLIO SALVATORE 2007-03-29 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-20070072911-A1 Indoles and azaindoles as antiviral agents IDO1, IDO2, NAT1 ADRA2B 169/4885ADRA2C 75/4885SLC6A2 620/4885

“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.