SCHEMBL1662458

SCHEMBL1662458

C=Cc1cn(CCO)c(C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
THRB P10828 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CNR1 P21554 1/20 0.41
GPR119 Q8TDV5 5/20 0.39
TRPV3 Q8NET8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 2/20 0.38
HPGDS O60760 1/20 0.38
DPP4 P27487 1/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL9927823 0.89 TP53 (0.41) MAPTTHRBKDM4EGPR119HPGD
SCHEMBL16457324 0.85 GPR119 (0.45) MAPTTHRBKDM4ECNR1GPR119
SCHEMBL9927822 0.84 KDM4E (0.44) MAPTTHRBKDM4ECNR1GPR119
SCHEMBL2063726 0.84 THRB (0.44) MAPTTHRBKDM4ECNR1GPR119
SCHEMBL16457034 0.84 TRPV3 (0.45) MAPTTHRBKDM4ECNR1GPR119
SCHEMBL16457331 0.83 TRPV3 (0.44) MAPTTHRBKDM4ECNR1GPR119
SCHEMBL16457717 0.82 TRPV3 (0.44) MAPTTHRBKDM4ECNR1GPR119
SCHEMBL16456980 0.82 THRB (0.42) MAPTTHRBKDM4ECNR1GPR119
SCHEMBL16457196 0.82 KDM4E (0.42) MAPTTHRBKDM4ECNR1GPR119
SCHEMBL16457372 0.81 THRB (0.42) MAPTTHRBKDM4ECNR1GPR119

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 8 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
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
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
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 MAPT 2496/4885THRB 2880/4885KDM4E 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.