SCHEMBL684196

SCHEMBL684196

CC(=O)[C@H](CNCC1CC1)c1ccc(I)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 2/20 0.39
AKT2 P31751 2/20 0.39
AKT3 Q9Y243 2/20 0.39
KCNH2 Q12809 1/20 0.32
FAAH O00519 1/20 0.32
BCHE P06276 5/20 0.32
ACACB O00763 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
SCHEMBL12188438 0.88 AKT1 (0.38) AKT1AKT2AKT3KCNH2FAAH
SCHEMBL12391471 0.85 AKT1 (0.39) AKT1AKT2AKT3KCNH2FAAH
SCHEMBL16264770 0.85 AKT1 (0.39) AKT1AKT2AKT3
SCHEMBL12188596 0.85 AKT1 (0.39) AKT1AKT2AKT3
SCHEMBL12188418 0.83 AKT1 (0.53) AKT1AKT2AKT3
SCHEMBL16151929 0.81 L3MBTL1 (0.45) KCNH2FAAHBCHE
SCHEMBL12188413 0.81 NPC1 (0.41) AKT1AKT2AKT3BCHE
SCHEMBL684922 0.80 EPHX2 (0.46) AKT1AKT2AKT3
SCHEMBL684125 0.79 ADRB2 (0.41) AKT1AKT2AKT3
SCHEMBL16151948 0.79 HPGD (0.39)

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 2 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-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 (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-20080051399-A1 HYDROXYLATED AND METHOXYLATED PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, AKT1S1 AKT1 1/4885AKT2 2/4885AKT3 4/4885

“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.