SCHEMBL1662379

SCHEMBL1662379

CC(C)(C)OC(=O)N1CCC(c2nc(C3CCOCC3)c[nH]2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.47
KDM4E B2RXH2 4/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
USP2 O75604 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGDS O60760 1/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.43
GPR119 Q8TDV5 5/20 0.43
LMNA P02545 1/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 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
SCHEMBL16457438 0.90 KDM4E (0.50) KDM4EMAPTTHRBHPGDSALDH1A1
SCHEMBL16457400 0.90 KDM4E (0.49) KDM4EMAPTTHRBHPGDSALDH1A1
SCHEMBL16457405 0.89 KDM4E (0.49) KDM4EMAPTTHRBHPGDSALDH1A1
SCHEMBL1662372 0.82 ALDH1A1 (0.37) ALDH1A1HPGD
SCHEMBL2512441 0.81 KDM4E (0.52) KDM4EMAPTTHRBHPGDSALDH1A1
SCHEMBL16457220 0.81 RECQL (0.44) RECQLKDM4EMAPTTHRBUSP2
SCHEMBL14782658 0.80 KDM4E (0.51) KDM4EMAPTTHRBHPGDSALDH1A1
SCHEMBL16457597 0.80 KDM4E (0.51) KDM4EMAPTTHRBHPGDSALDH1A1
SCHEMBL8550947 0.80 KDM4E (0.51) KDM4EMAPTTHRBHPGDSALDH1A1
SCHEMBL1665015 0.80 KDM4E (0.51) KDM4EMAPTTHRBUSP2HPGDS

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 RECQL 2833/4885KDM4E 1851/4885MAPT 2496/4885

“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.