SCHEMBL681467

SCHEMBL681467

CC(C)C(=O)[C@H](CNC(C)(C)C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
LDHA P00338 2/20 0.40
LDHB P07195 2/20 0.40
ADRB2 P07550 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
EPHX2 P34913 1/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
EEF2K O00418 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL681259 0.86 ADRB2 (0.40) CNR2LMNAHTTLDHALDHB
SCHEMBL684762 0.85 CNR2 (0.43) CNR2LMNAHTTLDHALDHB
SCHEMBL679682 0.84 PSEN1 (0.40) CNR2LDHALDHBPSEN1PSEN2
SCHEMBL681195 0.84 PSEN1 (0.40) CNR2LDHALDHBPSEN1PSEN2
SCHEMBL2738443 0.84 CNR2 (0.45) CNR2LMNAHTTLDHALDHB
SCHEMBL12168588 0.84 HPGD (0.40) CNR2ADRB2
SCHEMBL681029 0.82 KMT2A (0.42) CNR2ADRB2
SCHEMBL681469 0.82 MEN1 (0.41) LMNAADRB2
SCHEMBL681025 0.82 KMT2A (0.42) CNR2ADRB2
SCHEMBL681200 0.82 KMT2A (0.42) CNR2ADRB2

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 CNR2 2962/4885LMNA 3606/4885HTT 2076/4885

“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.