SCHEMBL681399

SCHEMBL681399

CC(C)C(=O)C(CN[C@H]1CC[C@H](C)CC1)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 6/20 0.40
AKT2 P31751 5/20 0.40
AKT1 P31749 4/20 0.40
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP3A4 P08684 1/20 0.39
TRPV1 Q8NER1 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
BLM P54132 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BACE1 P56817 1/20 0.37

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
SCHEMBL680729 0.95 GAA (0.43) AKT3AKT2AKT1GAAHPGD
SCHEMBL14267027 0.90 BRD4 (0.43) AKT3AKT2AKT1GAAHPGD
SCHEMBL680938 0.90 BRD4 (0.43) AKT3AKT2AKT1GAAHPGD
SCHEMBL681002 0.88 AKT3 (0.47) AKT3AKT2AKT1GAAHPGD
SCHEMBL16261013 0.88 GAA (0.40) AKT3AKT2AKT1GAAHPGD
SCHEMBL680144 0.86 AKT3 (0.50) AKT3AKT2AKT1GAAHPGD
SCHEMBL680741 0.86 SLC6A2 (0.40) AKT3AKT2AKT1GAAHPGD
SCHEMBL679641 0.86 AKT3 (0.49) AKT3AKT2AKT1GAAHPGD
SCHEMBL680817 0.85 AKT3 (0.39) AKT3AKT2AKT1GAAHPGD
SCHEMBL681206 0.83 OPRL1 (0.44) AKT3AKT2AKT1HPGDSMN1; SMN2

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
US-8063050-B2 Hydroxylated and methoxylated pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-11-22 US disclosed
US-8003651-B2 Pyrimidyl cyclopentanes as AKT protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2011-08-23 US disclosed
US-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer GENENTECH, INC. 2008-03-06 US disclosed
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. 2008-02-28 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-20080058327-A1 4-piperazinyl-5H-6,7-dihydrocyclopenta(d)pyrimidines; Hyperproliferative diseases such as cancer PIK3CA, DPYD, CDK2 AKT3 27/4885AKT2 23/4885AKT1 33/4885
US-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT3 4/4885AKT2 2/4885AKT1 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.