SCHEMBL9894818

SCHEMBL9894818

O=C(O)N1CCC(c2nc(C3CCOCC3)cn2CCO)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 5/20 0.41
AKT1 P31749 5/20 0.41
PRKCB P05771 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
HTR1A P08908 9/20 0.34
DRD2 P14416 9/20 0.34
DRD4 P21917 9/20 0.34
KCNH2 Q12809 3/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
BLM P54132 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR2 P34972 1/20 0.33
PDE1A P54750 2/20 0.32
PDE1B Q01064 2/20 0.32

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
SCHEMBL12799174 0.90 RPS6KB1 (0.41) RPS6KB1AKT1PRKCBRPS6KA1PDK1
SCHEMBL1662935 0.88 RPS6KB1 (0.53) RPS6KB1AKT1PRKCBRPS6KA1HTR1A
SCHEMBL1664740 0.84 RECQL (0.43) RPS6KB1AKT1PRKCBRPS6KA1ALDH1A1
SCHEMBL1662360 0.83 RPS6KB1 (0.39) RPS6KB1AKT1PRKCBRPS6KA1HTR1A
SCHEMBL1662709 0.82 RPS6KB1 (0.38) RPS6KB1AKT1PRKCBRPS6KA1HTR1A
Hydrochloric Acid SCHEMBL16457193 0.80 RPS6KB1 (0.39) RPS6KB1AKT1PRKCBRPS6KA1PDK1
SCHEMBL9894433 0.79 EPHX2 (0.35) RPS6KB1AKT1ALDH1A1POLBLMNA
SCHEMBL9895306 0.78 RPS6KB1 (0.35) RPS6KB1AKT1
SCHEMBL1662705 0.76 RPS6KB1 (0.33) RPS6KB1AKT1
SCHEMBL9894087 0.76 MEN1 (0.39) RPS6KB1AKT1PRKCBRPS6KA1DRD2

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 RPS6KB1 41/4885AKT1 4/4885PRKCB 176/4885

“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.