SCHEMBL9894433

SCHEMBL9894433

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
RPS6KB1 P23443 7/20 0.34
AKT1 P31749 7/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
TYK2 P29597 1/20 0.33
JAK3 P52333 1/20 0.33
SLC18A3 Q16572 1/20 0.33
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HTR2B P41595 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 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
SCHEMBL14782550 0.86 RPS6KB1 (0.43) RPS6KB1AKT1
SCHEMBL9893953 0.86 RPS6KB1 (0.41) RPS6KB1AKT1
SCHEMBL16247256 0.83 USP7 (0.35) RPS6KB1AKT1SLC18A3HRH1
SCHEMBL9895306 0.83 RPS6KB1 (0.35) EPHX2RPS6KB1AKT1JAK2JAK1
SCHEMBL2063726 0.82 THRB (0.44) GAAMAPTHTT
SCHEMBL1662959 0.81 HTR2B (0.32) HTR2B
SCHEMBL1662705 0.81 RPS6KB1 (0.33) RPS6KB1AKT1JAK2JAK1TYK2
SCHEMBL17004935 0.81 HTR2B (0.37) EPHX2RPS6KB1AKT1HTR2BL3MBTL1
SCHEMBL16475598 0.80 TRPV3 (0.35) RPS6KB1AKT1ALDH1A1GAAMAPT
SCHEMBL9894818 0.79 RPS6KB1 (0.41) RPS6KB1AKT1ALDH1A1LMNAPOLB

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-2755965-A1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY Merck Patent GmbH (DE) 2014-07-23 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
WO-2013040059-A1 NOVEL IMIDAZOLE AMINES AS MODULATORS OF KINASE ACTIVITY MERCK PATENT GMBH (DE) 2013-03-21 WO 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 EPHX2 3815/4885RPS6KB1 41/4885AKT1 4/4885

“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.