SCHEMBL14813489

SCHEMBL14813489

OCCN(c1ccccn1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
CHRM2 P08172 2/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
SLC6A3 Q01959 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 3/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL4461877 0.77 SLC6A2 (0.48) CYP2D6CYP2C19SLC6A2SLC6A4CHRM2
SCHEMBL7594235 0.75 KDM4E (0.42) SLC6A2SLC6A4HTR2AHRH1KDM4E
SCHEMBL2132415 0.73 CHRM2 (0.49) CYP2D6CYP2C19SLC6A2SLC6A4CHRM2
SCHEMBL11701437 0.73 CYP2D6 (0.63) CYP2D6CYP2C19SLC6A2SLC6A4CHRM2
SCHEMBL19306196 0.71 TSHR (0.62) CYP2C19KDM4ETSHRLMNAMAPK1
SCHEMBL11697719 0.71 CYP2D6 (0.51) CYP2D6CYP2C19SLC6A2SLC6A4CHRM2
SCHEMBL31490354 0.70 POLB (0.58) CYP2D6CYP2C19SLC6A2SLC6A4CHRM2
SCHEMBL440638 0.70 POLB (0.58) CYP2D6CYP2C19SLC6A2SLC6A4CHRM2
Ethylene SCHEMBL28037648 0.70 CHRM2 (0.46) CYP2D6CYP2C19SLC6A2SLC6A4CHRM2
SCHEMBL2495689 0.70 SLC6A2 (0.42) CYP2D6CYP2C19SLC6A2SLC6A4CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2580198-B1 THERMOLABILE 2-(N-2-PYRIDIYL-N-BENZYL)-AMINOETHYLOXYCARBONYL DERIVATIVES AS HYDROXYL FUNCTION PROTECTING AGENTS INST CHEMII BIOORG POLSKIEJ AKADEMII NAUK (PL) 2016-08-10 EP disclosed
US-8759509-B2 Way of using thermolabile groups to protect hydroxyl functions and compounds for implementing the procedure INSTYTUT CHEMII BIOORGANICZNEJ POLSKIEJ AKADEMII NAUK (PL) 2014-06-24 US disclosed
EP-2580198-A1 THERMOLABILE 2 - (N- 2 - PYRIDIYL - N- BENZYL) - AMINOETHYLOXYCARBONYL DERIVATIVES AS HYDROXYL FUNCTION PROTECTING AGENTS Instytut Chemii Bioorganicznej Polskiej Akademii Nauk (PL) 2013-04-17 EP disclosed
US-20130085272-A1 NEW WAY OF USING THERMOLABILE GROUPS TO PROTECT HYDROXYL FUNCTIONS, AND NEW COMPOUNDS FOR IMPLEMENTING THE PROCEDURE INSTYTUT CHEMII BIOORGANICZNEJ POLSKIEJ AKADEMII NAUK (PL) 2013-04-04 US disclosed
US-20130085272-A1 NEW WAY OF USING THERMOLABILE GROUPS TO PROTECT HYDROXYL FUNCTIONS, AND NEW COMPOUNDS FOR IMPLEMENTING THE PROCEDURE INSTYTUT CHEMII BIOORGANICZNEJ POLSKIEJ AKADEMII NAUK (PL) 2013-04-04 US disclosed
WO-2011155855-A1 THERMOLABILE 2 - (N- 2 - PYRIDIYL - N- BENZYL) - AMINOETHYLOXYCARBONYL DERIVATIVES AS HYDROXYL FUNCTION PROTECTING AGENTS INSTYTUT CHEMII BIOORGANICZNEJ POLSKIEJ AKADEMII NAUK (PL) 2011-12-15 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-20130085272-A1 NEW WAY OF USING THERMOLABILE GROUPS TO PROTECT HYDROXYL FUNCTIONS, AND NEW COMPOUNDS FOR IMPLEMENTING THE PROCEDURE RNGTT, POLB, UNG CYP2D6 1150/4885CYP2C19 1030/4885SLC6A2 2900/4885

“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.