SCHEMBL293844

SCHEMBL293844

Cc1ccccc1N(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)CBr

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.47
TRPM8 Q7Z2W7 1/20 0.38
TP53 P04637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
AAK1 Q2M2I8 2/20 0.36
CYP3A4 P08684 2/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
CTSS P25774 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL291831 0.87 AKT1 (0.46) AKT1MEN1KMT2AAAK1LMNA
SCHEMBL292617 0.84 AKT1 (0.41) AKT1MEN1KMT2AAAK1LMNA
SCHEMBL291652 0.84 AKT1 (0.39) AKT1AAK1KDM4ECTSS
SCHEMBL291873 0.84 AKT1 (0.53) AKT1TP53MEN1KMT2AAAK1
SCHEMBL291187 0.82 AKT1 (0.50) AKT1MEN1KMT2AKDM4ECTSL
SCHEMBL292353 0.79 AKT1 (0.44) AKT1AAK1LMNACTSLCTSB
SCHEMBL292362 0.77 AKT1 (0.38) AKT1AAK1
SCHEMBL3652452 0.71 TRPM8 (0.42) AKT1TRPM8TP53MEN1KMT2A
SCHEMBL292651 0.69 MAPT (0.43) LMNAALDH1A1POLBKDM4ECA12
SCHEMBL30443001 0.68 CYP3A4 (0.54) TRPM8TP53MEN1KMT2ACYP3A4

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 2749/4885TRPM8 2058/4885TP53 4696/4885

“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.