SCHEMBL12790804

SCHEMBL12790804

CC(C)(C)N1CC2(CCNCC2)c2cc(F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.47
DPP4 P27487 1/20 0.35
CTSS P25774 1/20 0.33
CTSK P43235 1/20 0.33
AKR1B1 P15121 1/20 0.33
HTR2C P28335 2/20 0.33
USP2 O75604 1/20 0.32
CYP2D6 P10635 1/20 0.32
ALOX15 P16050 1/20 0.32
PDE4B Q07343 1/20 0.31
P2RY1 P47900 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
NOTUM Q6P988 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
KDM1A O60341 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
SCHEMBL12790809 0.84 AKT1 (0.35) AKT1AKR1B1HTR2CUSP2SLC6A2
SCHEMBL12790862 0.84 AKT1 (0.35) AKT1AKR1B1HTR2CUSP2SLC6A2
SCHEMBL12790795 0.83 AKT1 (0.47) AKT1HTR2CUSP2NOTUMHDAC1
SCHEMBL12790810 0.83 AKT1 (0.33) AKT1HTR2CALOX15NOTUM
SCHEMBL12790837 0.83 AKT1 (0.34) AKT1SLC6A2SLC6A4SLC6A3
SCHEMBL4976533 0.82 AKT1 (0.51) AKT1DPP4AKR1B1HTR2CUSP2
SCHEMBL12790801 0.80 AKT1 (0.32) AKT1
SCHEMBL13209369 0.80 AKT1 (0.44) AKT1P2RY1NOTUMHDAC1HDAC6
SCHEMBL12790792 0.78 AKT1 (0.32) AKT1HTR2CCYP2D6SLC6A2SLC6A4
SCHEMBL2354258 0.78 AKT1 (0.43) AKT1NOTUMHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346805-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-05-24 US disclosed
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-21 US disclosed
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 AKT1 1/4885DPP4 3365/4885CTSS 3063/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 AKT1 2/4885DPP4 3183/4885CTSS 2828/4885

“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.