SCHEMBL16264283

SCHEMBL16264283

CC(=O)C1CCC(NC[C@@H](C(C)=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AKT3 Q9Y243 6/20 0.39
AKT2 P31751 5/20 0.39
AKT1 P31749 4/20 0.39
BRD4 O60885 1/20 0.39
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
MCHR1 Q99705 1/20 0.36
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRB1 P08588 2/20 0.35
ADRB3 P13945 2/20 0.35
ATF4 P18848 1/20 0.35
BACE1 P56817 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
FFAR2 O15552 1/20 0.35

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
SCHEMBL684829 0.93 BRD4 (0.44) GAAHPGDSMN1; SMN2AKT3AKT2
SCHEMBL16261013 0.89 GAA (0.40) GAAHPGDSMN1; SMN2AKT3AKT2
SCHEMBL12188538 0.88 AKT3 (0.41) GAAHPGDSMN1; SMN2AKT3AKT2
SCHEMBL16151898 0.88 AKT3 (0.41) GAAHPGDSMN1; SMN2AKT3AKT2
SCHEMBL8225822 0.88 AKT3 (0.41) GAAHPGDSMN1; SMN2AKT3AKT2
SCHEMBL13011556 0.88 AKT3 (0.41) GAAHPGDSMN1; SMN2AKT3AKT2
SCHEMBL12188493 0.86 AKT3 (0.48) GAAHPGDSMN1; SMN2AKT3AKT2
SCHEMBL12188494 0.85 AKT1 (0.51) SMN1; SMN2AKT3AKT2AKT1BRD4
SCHEMBL683293 0.84 AKT3 (0.50) GAAHPGDSMN1; SMN2AKT3AKT2
SCHEMBL684115 0.84 SLC6A2 (0.44) AKT3AKT2AKT1BRD4CYP3A4

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-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2014-11-27 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-20140349996-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS TK1, PIK3CA, AKT1 GAA 1749/4885HPGD 1139/4885SMN1; SMN2 3051/4885

“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.