SCHEMBL311776

SCHEMBL311776

CCCCOC(=O)N1CCC(c2nc(-c3cccc(C(F)(F)F)c3)cn2C)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.45
RPS6KB1 P23443 7/20 0.43
AKT1 P31749 7/20 0.43
TRPC3 Q13507 1/20 0.42
TRPC7 Q9HCX4 1/20 0.42
DRD2 P14416 1/20 0.40
CASP6 P55212 1/20 0.40
P2RY12 Q9H244 3/20 0.40
AKT2 P31751 1/20 0.40
KCNH2 Q12809 1/20 0.40
AKT3 Q9Y243 1/20 0.40
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
ALOX15 P16050 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL312365 0.85 GPR119 (0.45) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL311144 0.83 RPS6KB1 (0.47) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL30228278 0.76 TRPV1 (0.46) TRPC3TRPC7ALDH1A1USP2LMNA
SCHEMBL311017 0.74 GPR119 (0.46) RPS6KB1AKT1HTT
Hydrochloric Acid SCHEMBL310743 0.73 MEN1 (0.57) TLR8RPS6KB1AKT1CASP6
SCHEMBL15732488 0.73 P2RY14 (0.51) RPS6KB1ALDH1A1USP2MAPK1HTT
SCHEMBL786550 0.73 RPS6KB1 (0.43) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL13420671 0.72 CHRM3 (0.49) P2RY12ALDH1A1
SCHEMBL30177305 0.72 MGLL (0.51) DRD2ALDH1A1LMNAMAPK1HTT
SCHEMBL8821912 0.71 SIGMAR1 (0.49) RPS6KB1AKT1ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 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-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 TLR8 4200/4885RPS6KB1 6/4885AKT1 113/4885

“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.