SCHEMBL5058486

SCHEMBL5058486

CC[N+]1(OC(=O)C(F)(F)F)C(c2nonc2N)=Nc2c(-c3ccccc3)ncc(C(=O)NN3CCCC3)c21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.37
CNR2 P34972 3/20 0.33
SLC2A1 P11166 1/20 0.32
GABRA5 P31644 1/20 0.32
RPS6KA5 O75582 1/20 0.31
AKT1 P31749 1/20 0.31
RPS6KA1 Q15418 1/20 0.31
TP53 P04637 1/20 0.31
GSK3A P49840 1/20 0.30
TSHR P16473 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
SCHEMBL5063654 0.93 CNR1 (0.31) CNR1CNR2SLC2A1
SCHEMBL5067549 0.92 CNR2 (0.34) CNR1CNR2SLC2A1
SCHEMBL5063624 0.90 CNR1 (0.31) CNR1
SCHEMBL5062394 0.90 LMNA (0.35) CNR1CNR2SLC2A1
SCHEMBL5058490 0.90 ALDH1A1 (0.34) CNR1CNR2SLC2A1
SCHEMBL5062984 0.88 CNR1 (0.33) CNR1CNR2SLC2A1
SCHEMBL5067636 0.85 CACNA1B (0.41) SLC2A1
SCHEMBL5062673 0.85 TP53 (0.37) TP53TSHR
SCHEMBL5062946 0.83 ATG4B (0.39)
SCHEMBL5066332 0.73 CDK1 (0.36) TSHR

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-20080255143-A1 Inhibitors of Akt Activity SMITHKLINE BEECHAM CORPORATION (PA) 2008-10-16 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-20080255143-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 CNR1 4419/4885CNR2 4484/4885SLC2A1 3039/4885

“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.