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SCHEMBL2063669

SCHEMBL2063669

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ GPR119 Q8TDV5 7/20 0.36
▸ TRPV3 Q8NET8 2/20 0.36
▸ RECQL P46063 1/20 0.36
▸ EPHX1 P07099 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ NAMPT P43490 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ HPGDS O60760 1/20 0.35

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
SCHEMBL9927820 0.89 GPR119 (0.40) THRBKDM4EMAPTSMN1; SMN2GAA
SCHEMBL16457583 0.89 KDM4E (0.39) THRBKDM4EMAPTSMN1; SMN2GAA
SCHEMBL9894518 0.89 GPR119 (0.38) THRBKDM4EMAPTSMN1; SMN2GAA
SCHEMBL1662694 0.89 MEN1 (0.39) MEN1KMT2A
SCHEMBL16457523 0.88 GPR119 (0.38) THRBKDM4EMAPTSMN1; SMN2GAA
SCHEMBL16457318 0.87 HDAC4 (0.38) THRBKDM4EMAPTSMN1; SMN2GAA
SCHEMBL16457270 0.87 THRB (0.37) THRBKDM4EMAPTSMN1; SMN2GAA
SCHEMBL1662349 0.86 THRB (0.36) THRBKDM4EMAPTSMN1; SMN2GAA
SCHEMBL16457441 0.86 KDM4E (0.40) THRBKDM4EMAPTSMN1; SMN2GAA
SCHEMBL9894499 0.86 PRKCB (0.39) THRBKDM4EMAPTSMN1; SMN2GAA

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 10 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
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-2358710-B1 AKT AND P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2012-08-15 — — 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
US-20120149684-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2012-06-14 — — US disclosed
US-8148387-B2 AKT and P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-04-03 — — US disclosed
US-20100120801-A1 AKT AND P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2010-05-13 — — 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 (2 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-20100120801-A1 AKT AND P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, MTOR THRB 2443/4885KDM4E 2390/4885MAPT 1931/4885
US-20120149684-A1 AKT INHIBITORS AKT2, PIK3CA, AKT3 THRB 2880/4885KDM4E 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.