SCHEMBL6723016

SCHEMBL6723016

C[CH]C1CCCc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.49
PDPK1 O15530 1/20 0.43
GID4 Q8IVV7 1/20 0.42
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
XBP1 P17861 1/20 0.41
ADRA2A P08913 2/20 0.41
ADRA1A P35348 2/20 0.41
LMNA P02545 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
HTR1A P08908 1/20 0.41
OPRM1 P35372 1/20 0.41
CYP2D6 P10635 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
CHRNA7 P36544 1/20 0.40

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
SCHEMBL1567191 0.88 PDPK1 (0.50) IDO1PDPK1ADRA1A
SCHEMBL8893702 0.81 IDO1 (0.49) IDO1HTTALDH1A1ADRA2AADRA1A
SCHEMBL29663637 0.81 IDO1 (0.49) IDO1GID4HTTALDH1A1XBP1
SCHEMBL9159890 0.81 IDO1 (0.49) IDO1GID4HTTALDH1A1XBP1
SCHEMBL1567118 0.81 IDO1 (0.49) IDO1HTTALDH1A1ADRA2AADRA1A
SCHEMBL8699708 0.81 IDO1 (0.49) IDO1GID4HTTALDH1A1XBP1
SCHEMBL782544 0.81 IDO1 (0.49) IDO1GID4HTTALDH1A1XBP1
SCHEMBL10648765 0.80 IDO1 (0.45) IDO1PDPK1GID4HTTALDH1A1
SCHEMBL361005 0.78 IDO1 (0.46) IDO1HTTALDH1A1ADRA2AADRA1A
SCHEMBL7538343 0.77 IDO1 (0.45) IDO1HTTALDH1A1XBP1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780318-B1 PROCESS FOR THE PRODUCTION OF N-SUBSTITUTED 2-(ACETYLAMINO)-N'-BENZYL-3-METHOXYPROPANAMIDES SANOFI AVENTIS DEUTSCHLAND (DE) 2015-08-26 EP claimed
EP-2780318-A1 PROCESS FOR THE PRODUCTION OF N-SUBSTITUTED 2-(ACETYLAMINO)-N'-BENZYL-3-METHOXYPROPANAMIDES Sanofi-Aventis Deutschland GmbH (DE) 2014-09-24 EP claimed
WO-2013072330-A1 PROCESS FOR THE PRODUCTION OF N-SUBSTITUTED 2-(ACETYLAMINO)-N'-BENZYL-3-METHOXYPROPANAMIDES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-05-23 WO claimed
EP-2780318-B1 PROCESS FOR THE PRODUCTION OF N-SUBSTITUTED 2-(ACETYLAMINO)-N'-BENZYL-3-METHOXYPROPANAMIDES SANOFI AVENTIS DEUTSCHLAND (DE) 2015-08-26 EP disclosed
EP-2780318-A1 PROCESS FOR THE PRODUCTION OF N-SUBSTITUTED 2-(ACETYLAMINO)-N'-BENZYL-3-METHOXYPROPANAMIDES Sanofi-Aventis Deutschland GmbH (DE) 2014-09-24 EP disclosed
WO-2013072330-A1 PROCESS FOR THE PRODUCTION OF N-SUBSTITUTED 2-(ACETYLAMINO)-N'-BENZYL-3-METHOXYPROPANAMIDES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2013-05-23 WO disclosed
US-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria HOKURIKU SEIYAKU CO., LTD. (JP) 2004-07-01 US disclosed
EP-1323726-A1 ERYTHROMYCIN DERIVATIVES AND MEDICINES CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 2003-07-02 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-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria MAPRE1, MAPRE2, MRPS27 IDO1 4102/4885PDPK1 4244/4885GID4 4620/4885

“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.