SCHEMBL13789985

SCHEMBL13789985

CC(C)CNC(=O)[C@@H](O)CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.46
MMP1 P03956 1/20 0.43
MMP8 P22894 1/20 0.43
ANPEP P15144 1/20 0.43
DNPEP Q9ULA0 1/20 0.43
KISS1R Q969F8 2/20 0.41
HPGD P15428 1/20 0.40
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
EPHX1 P07099 2/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL18714363 1.00 CYP2C19 (0.50) CYP2C19CYP2D6MAPTMMP1MMP8
SCHEMBL2604878 0.82 CYP2C19 (0.50) CYP2C19CYP2D6MAPTMMP1MMP8
SCHEMBL15257158 0.79 CYP2D6 (0.52) CYP2C19CYP2D6MAPTMMP1MMP8
SCHEMBL7441355 0.78 CYP2D6 (0.46) CYP2C19CYP2D6MAPTMMP1MMP8
SCHEMBL10444397 0.78 CYP2D6 (0.46) CYP2C19CYP2D6MAPTMMP1MMP8
SCHEMBL30997680 0.78 ANPEP (0.62) ANPEPDNPEPLMNA
SCHEMBL23866601 0.78 CYP2D6 (0.56) CYP2C19CYP2D6MAPTMMP1MMP8
SCHEMBL2315958 0.78 CYP2D6 (0.56) CYP2C19CYP2D6MAPTMMP1MMP8
SCHEMBL8633406 0.78 CYP2D6 (0.56) CYP2C19CYP2D6MAPTMMP1MMP8
SCHEMBL13789959 0.77 SLC7A5 (0.54) CYP2C19CYP2D6MAPTMMP1MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114870-B1 SYNTHETIC ION CHANNELS VERSITECH LTD (CN) 2019-07-03 EP disclosed
US-9610263-B2 Method of modulating membrane potential of a cell VERSITECH LIMITED (CN) 2017-04-04 US disclosed
US-9610263-B2 Method of modulating membrane potential of a cell VERSITECH LIMITED (CN) 2017-04-04 US disclosed
US-9162977-B2 Synthetic ion channels THE UNIVERSITY OF HONG KONG (CN) 2015-10-20 US disclosed
US-9162977-B2 Synthetic ion channels THE UNIVERSITY OF HONG KONG (CN) 2015-10-20 US disclosed
US-20130244944-A1 Synthetic Ion Channels VERSITECH LIMITED (CN) 2013-09-19 US disclosed
US-20130244944-A1 Synthetic Ion Channels VERSITECH LIMITED (CN) 2013-09-19 US disclosed
US-8378138-B2 self-assembling compounds that can form ion channels in lipid bilayers or cell membranes and ion-channel-forming compositions comprising the self-assembling compounds. Also provided are methods of making and using the ion channels formed from a plurality of molecules of the self-assembling compounds. The University of Hong Kong & Versitech Limited (CN) 2013-02-19 US disclosed
US-8378138-B2 self-assembling compounds that can form ion channels in lipid bilayers or cell membranes and ion-channel-forming compositions comprising the self-assembling compounds. Also provided are methods of making and using the ion channels formed from a plurality of molecules of the self-assembling compounds. The University of Hong Kong & Versitech Limited (CN) 2013-02-19 US disclosed
US-20090163595-A1 Method of Modulating Membrane Potential of a Cell THE CHINESE UNIVERSITY OF HONG KONG (CN) 2009-06-25 US disclosed
US-20090163595-A1 Method of Modulating Membrane Potential of a Cell THE CHINESE UNIVERSITY OF HONG KONG (CN) 2009-06-25 US disclosed
US-20080146513-A1 Synthetic Ion Channels VERSITECH LIMITED (CN) 2008-06-19 US disclosed
US-20080146513-A1 Synthetic Ion Channels VERSITECH LIMITED (CN) 2008-06-19 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 (3 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-20130244944-A1 Synthetic Ion Channels KCNJ2, KCNJ1, KCNN2 CYP2C19 4847/4885CYP2D6 4795/4885MAPT 2294/4885
US-20080146513-A1 Synthetic Ion Channels KCNJ2, KCNJ1, KCNN2 CYP2C19 4847/4885CYP2D6 4795/4885MAPT 2294/4885
US-20090163595-A1 Method of Modulating Membrane Potential of a Cell VDAC1, ATP2A3, ATP2A2 CYP2C19 4864/4885CYP2D6 4820/4885MAPT 3923/4885

“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.