SCHEMBL12847710

SCHEMBL12847710

CCOC(CN1CCN(C)CC1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.58
ULK1 O75385 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MC4R P32245 5/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CYP2D6 P10635 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
DRD1 P21728 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HRH1 P35367 1/20 0.45

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
SCHEMBL14791780 0.87 POLB (0.47) ALDH1A1MEN1KMT2AL3MBTL1CYP2D6
SCHEMBL12847339 0.86 POLB (0.46) ALDH1A1MEN1KMT2AL3MBTL1CHRM2
SCHEMBL17771711 0.84 GAA (0.61) GAAULK1ALDH1A1L3MBTL1MC4R
SCHEMBL10922181 0.83 SIGMAR1 (0.52) ALDH1A1MEN1KMT2AL3MBTL1CYP2D6
SCHEMBL12847709 0.83 POLB (0.55) ALDH1A1MEN1KMT2APOLB
SCHEMBL10922179 0.83 PDE1A (0.45) GAAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL20356858 0.81 GAA (0.58) GAAULK1ALDH1A1L3MBTL1MC4R
SCHEMBL12791114 0.80 GAA (0.56) GAAULK1ALDH1A1L3MBTL1MC4R
SCHEMBL14791783 0.80 GAA (0.52) GAAULK1ALDH1A1MEN1KMT2A
SCHEMBL20356844 0.79 GAA (0.51) GAAULK1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-21 US disclosed
US-8324221-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-03 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 (2 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-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, PIK3CA GAA 1375/4885ULK1 374/4885ALDH1A1 2944/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 GAA 1535/4885ULK1 379/4885ALDH1A1 2929/4885

“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.