SCHEMBL292353

SCHEMBL292353

CC(C)(CN(C(=O)CBr)c1c(F)cccc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.44
AAK1 Q2M2I8 4/20 0.36
SCN9A Q15858 1/20 0.34
CTSS P25774 3/20 0.34
CTSK P43235 1/20 0.34
EPHX2 P34913 1/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
NLRP3 Q96P20 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL292617 0.86 AKT1 (0.41) AKT1AAK1SCN9ACTSSCTSK
SCHEMBL291873 0.84 AKT1 (0.53) AKT1AAK1CTSSCTSKCTSL
SCHEMBL293844 0.79 AKT1 (0.47) AKT1AAK1CTSSLMNANPSR1
SCHEMBL291831 0.78 AKT1 (0.46) AKT1AAK1CTSSLMNAHTT
SCHEMBL291652 0.77 AKT1 (0.39) AKT1AAK1CTSSCTSK
SCHEMBL292362 0.77 AKT1 (0.38) AKT1AAK1
SCHEMBL291187 0.73 AKT1 (0.50) AKT1CTSSMAPTCTSLCTSB
SCHEMBL293665 0.71 LATS1 (0.41) AAK1SCN9ACTSSCTSKLMNA
SCHEMBL15135380 0.68 AKT1 (0.45) AKT1SCN9ACTSSCTSKLMNA
SCHEMBL291848 0.68 SMN1; SMN2 (0.43) AAK1SCN9ACTSSCTSKLMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158790-B2 Cyclic amine compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-04-17 US disclosed
EP-2036896-B1 CYCLIC AMINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2012-03-14 EP disclosed
US-20090286807-A1 CYCLIC AMINE COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-11-19 US disclosed
EP-2036896-A1 CYCLIC AMINE COMPOUND Daiichi Sankyo Company, Limited (JP) 2009-03-18 EP 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-20090286807-A1 CYCLIC AMINE COMPOUND HRH3, HRH4, H1-0 AKT1 2749/4885AAK1 3037/4885SCN9A 2363/4885

“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.