SCHEMBL9895129

SCHEMBL9895129

CC(O)c1cn(CCN2CCCC2)c(C2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.41
THRB P10828 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TRPV3 Q8NET8 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 2/20 0.39
ATM Q13315 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
PRMT5 O14744 2/20 0.38
WDR77 Q9BQA1 2/20 0.38
CNR1 P21554 1/20 0.38

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
SCHEMBL16457520 0.93 TP53 (0.42) TP53LMNATHRBMAPTKDM4E
SCHEMBL9894161 0.87 TP53 (0.42) TP53LMNATHRBMAPTKDM4E
SCHEMBL1662370 0.87 TP53 (0.43) TP53LMNATHRBMAPTKDM4E
SCHEMBL16457484 0.87 TP53 (0.45) TP53LMNATHRBMAPTKDM4E
SCHEMBL9894348 0.86 RPS6KB1 (0.40)
SCHEMBL16457354 0.86 TP53 (0.43) TP53LMNATHRBMAPTKDM4E
SCHEMBL1662356 0.86 TP53 (0.43) TP53LMNATHRBMAPTKDM4E
SCHEMBL16457724 0.86 TP53 (0.43) TP53LMNATHRBMAPTKDM4E
SCHEMBL9894068 0.86 TP53 (0.44) TP53LMNATHRBMAPTKDM4E
SCHEMBL16457314 0.86 RPS6KB1 (0.47) TP53LMNATHRBMAPTKDM4E

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 3 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-20120149684-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2012-06-14 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 (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 TP53 916/4885LMNA 4267/4885THRB 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.