SCHEMBL8427768

SCHEMBL8427768

C#CCNC(=O)OCCC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.48
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL5217196 0.88 ACHE (0.56) ACHEEPHX1ALDH1A1
SCHEMBL19506600 0.86 ACHE (0.59) ACHEEPHX1SMN1; SMN2
SCHEMBL19506292 0.85 ACHE (0.62) ACHEEPHX1SMN1; SMN2
SCHEMBL16173526 0.85 ACHE (0.39) ACHEKDM4EGLAEPHX1ALDH1A1
SCHEMBL13535134 0.83 ACHE (0.44) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8439433 0.83
SCHEMBL12938300 0.82 ACHE (0.42) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL6539526 0.81 ACHE (0.50) ACHEKDM4EGLACHRNB2CHRNB4
SCHEMBL9676610 0.79 ACHE (0.48) ACHEKDM4EGLACHRNB2CHRNB4
SCHEMBL13539282 0.79 CHRNB2 (0.45) ACHEKDM4ECHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10557853-B2 Molecular sensor and methods of use thereof YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2020-02-11 US disclosed
US-20170307625-A1 MOLECULAR SENSOR AND METHODS OF USE THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-10-26 US disclosed
US-9696310-B2 Molecular sensor and methods of use thereof YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-07-04 US disclosed
EP-0512901-B1 Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1999-06-23 EP disclosed
EP-0591040-B1 Quaternary basic amides as tachykinines antagonists SANOFI SA (FR) 1999-02-03 EP disclosed
EP-0474561-B1 Arylalkylamines, process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-12-09 EP disclosed
EP-0515240-B1 N-(aminoalkyl)piperidine compounds and their enantiomers as neurokinines receptors antagonists, processes for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1997-09-24 EP disclosed
EP-0591040-A1 Quaternary basic amides as tachykinines antagonists SANOFI (FR) 1994-04-06 EP disclosed
WO-1993018002-A1 QUATERNARY SALTS OF 4-SUBSTITUTED PIPERIDINES, PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-09-16 WO disclosed
EP-0559538-A1 Quaternary salts of 4-substituted piperidines, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1993-09-08 EP disclosed
EP-0375560-B1 ARYLOXYPROPANOLAMINOTETRALINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-05-12 EP disclosed
EP-0515240-A1 N-alkylidene piperidine compounds and their enatiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-11-25 EP disclosed
EP-0512902-A1 Dialkyleneperidino compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-11-11 EP disclosed
EP-0512901-A1 Aminated polycyclic compounds and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-11-11 EP disclosed
EP-0474561-A1 Arylalkylamines, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1992-03-11 EP disclosed
EP-0428434-A2 Compounds of aromatic amines and their enantiomers, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1991-05-22 EP disclosed
EP-0375560-A1 Aryloxypropanolaminotetralines, process for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1990-06-27 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 (2 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-20170307625-A1 MOLECULAR SENSOR AND METHODS OF USE THEREOF MAVS, STIM1, HSPE1 ACHE 4544/4885KDM4E 4258/4885GLA 2273/4885
US-10557853-B2 Molecular sensor and methods of use thereof MAVS, STIM1, HSPE1 ACHE 4544/4885KDM4E 4258/4885GLA 2273/4885

“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.