SCHEMBL4339397

SCHEMBL4339397

CN(CC(O)c1ccccc1)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.53
LMNA P02545 2/20 0.47
CYP2D6 P10635 2/20 0.46
PRKDC P78527 1/20 0.46
KDM4E B2RXH2 3/20 0.44
CYP2C19 P33261 1/20 0.44
MKNK1 Q9BUB5 4/20 0.43
CHRM2 P08172 2/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
DRD1 P21728 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL6648635 0.85 AOC3 (0.58) AOC3LMNACYP2D6PRKDCKDM4E
SCHEMBL5779464 0.78 CYP2D6 (0.50) LMNACYP2D6KDM4ECYP2C19CHRM2
SCHEMBL291511 0.77 PPARG (0.41) LMNACYP2D6KDM4ECYP2C19TSHR
SCHEMBL11505617 0.75 AOC3 (0.63) AOC3LMNAPRKDCKDM4ESLC6A2
SCHEMBL15208594 0.75 PPARG (0.46) CYP2D6CYP2C19TSHRPPARGPPARA
SCHEMBL13628513 0.75 CYP2D6 (0.39) LMNACYP2D6KDM4ECYP2C19CHRM2
SCHEMBL20322983 0.75 POLB (0.48) LMNACYP2D6KDM4ECYP2C19CHRM2
Hydrochloric Acid SCHEMBL28984088 0.73 POLB (0.47) LMNACYP2D6KDM4ECYP2C19CHRM2
SCHEMBL19468562 0.73 FDPS (0.51) CYP2D6CYP2C19CHRM2SLC6A2SLC6A4
SCHEMBL28987136 0.73 TSHR (0.50) LMNACYP2D6KDM4ECYP2C19CHRM2

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
US-7612197-B2 Reacting a nucleophil with OH group with an electrophil to form an adduct, reacting adduct with a reagent selected from oxidizing, sulfurizing or selenizing agents to produce hydroxy protected oligonucleotide, heating to deprotect hydroxy protecting group such as 2-(2-pyridyl)aminoethoxycarbonyl The United States of America as repesented by the Secretary of the Department of Health and Human Services (US) 2009-11-03 US disclosed
US-20060281911-A1 Thermolabile hydroxyl protecting groups and methods of use GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH (US) 2006-12-14 US disclosed
WO-2004101582-A2 THERMOLABILE HYDROXYL PROTECTING GROUPS AND METHODS OF USE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2004-11-25 WO 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-20060281911-A1 Thermolabile hydroxyl protecting groups and methods of use ADH1A, CYP2E1, ADH1C AOC3 520/4885LMNA 1312/4885CYP2D6 138/4885

“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.