SCHEMBL1662534

SCHEMBL1662534

CC(C)(C)OC(=O)N1CCC(c2nc(I)c(I)[nH]2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
HPGDS O60760 2/20 0.48
GPR119 Q8TDV5 3/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.41
EPHX1 P07099 1/20 0.41
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PRMT5 O14744 2/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
DDB1 Q16531 1/20 0.41

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
SCHEMBL15556094 0.89 KDM4E (0.51) KDM4EMAPTTHRBHPGDSGPR119
SCHEMBL1662358 0.81 KDM4E (0.50) KDM4EMAPTTHRBHPGDSGPR119
SCHEMBL947009 0.81 KDM4E (0.53) KDM4EMAPTTHRBHPGDSGPR119
SCHEMBL1662518 0.79 HTR2B (0.39)
SCHEMBL1294005 0.79 ALDH1A1 (0.47) MAPTHTTALDH1A1NPSR1
SCHEMBL1294003 0.79 ALDH1A1 (0.47) MAPTHTTALDH1A1NPSR1
SCHEMBL15773460 0.78 ALDH1A1 (0.44) MAPTALDH1A1NPSR1
SCHEMBL28152177 0.78 ALDH1A1 (0.44) MAPTALDH1A1NPSR1
SCHEMBL14447474 0.77 MAPT (0.56) KDM4EMAPTTHRBHPGDSHTT
SCHEMBL2512441 0.77 KDM4E (0.52) KDM4EMAPTTHRBHPGDSGPR119

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 KDM4E 1851/4885MAPT 2496/4885THRB 2880/4885

“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.