SCHEMBL1662349

SCHEMBL1662349

CC(C)(C)OC(=O)N1CCC(c2nc(CC(F)(F)F)cn2CCOC2CCCCO2)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GPR119 Q8TDV5 6/20 0.36
HDAC4 P56524 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
PLK1 P53350 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
DPP4 P27487 1/20 0.35
RECQL P46063 1/20 0.34
EPHX1 P07099 1/20 0.34

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
SCHEMBL9894518 0.90 GPR119 (0.38) THRBMAPTKDM4EGPR119SMN1; SMN2
SCHEMBL1662890 0.89 MEN1 (0.37) PLK1
SCHEMBL16457318 0.89 HDAC4 (0.38) THRBMAPTKDM4EGPR119HDAC4
SCHEMBL16457270 0.89 THRB (0.37) THRBMAPTKDM4EGPR119SMN1; SMN2
SCHEMBL16457441 0.88 KDM4E (0.40) THRBMAPTKDM4EGPR119SMN1; SMN2
SCHEMBL16459152 0.87 MAPT (0.38) THRBMAPTKDM4EGPR119SMN1; SMN2
SCHEMBL2063669 0.86 THRB (0.38) THRBMAPTKDM4EGPR119SMN1; SMN2
SCHEMBL16457583 0.86 KDM4E (0.39) THRBMAPTKDM4EGPR119SMN1; SMN2
SCHEMBL9927820 0.86 GPR119 (0.40) THRBMAPTKDM4EGPR119SMN1; SMN2
SCHEMBL16457523 0.86 GPR119 (0.38) THRBMAPTKDM4EGPR119SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491032-B1 AKT INHIBITORS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8436002-B2 AKT inhibitors ELI LILLY AND COMPANY (US) 2013-05-07 US disclosed
EP-2491032-A1 AKT INHIBITORS Eli Lilly and Company (US) 2012-08-29 EP disclosed
US-20120149684-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2012-06-14 US disclosed
WO-2011050016-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2011-04-28 WO 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-20120149684-A1 AKT INHIBITORS AKT2, PIK3CA, AKT3 THRB 2880/4885MAPT 2496/4885KDM4E 1851/4885

“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.