SCHEMBL4267038

SCHEMBL4267038

ClCCN(C/C=C/c1ccccc1)CCCl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
KDM4E B2RXH2 1/20 0.46
KCNH2 Q12809 3/20 0.41
IDO1 P14902 2/20 0.41
PAM P19021 1/20 0.41
EPOR P19235 1/20 0.41
HTR2A P28223 2/20 0.40
NR1I2 O75469 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2C P18825 1/20 0.40
CNR1 P21554 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40
SLC6A3 Q01959 1/20 0.40
EBP Q15125 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
LMNA P02545 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
SCHEMBL17707693 1.00 MEN1 (0.57) MEN1KMT2AKDM4EKCNH2IDO1
SCHEMBL2774560 0.83 MEN1 (0.63) MEN1KMT2AKDM4EKCNH2IDO1
SCHEMBL2774559 0.83 MEN1 (0.63) MEN1KMT2AKDM4EKCNH2IDO1
SCHEMBL9352733 0.82 MEN1 (0.48) MEN1KMT2AKDM4EKCNH2IDO1
SCHEMBL6974136 0.81 KDM4E (0.51) MEN1KMT2AKDM4EKCNH2HTR2A
SCHEMBL6974141 0.81 KDM4E (0.51) MEN1KMT2AKDM4EKCNH2HTR2A
SCHEMBL3299271 0.81 MEN1 (0.62) MEN1KMT2AKDM4EKCNH2HTR2A
SCHEMBL3299266 0.81 MEN1 (0.62) MEN1KMT2AKDM4EKCNH2HTR2A
Water SCHEMBL31499005 0.79 MEN1 (0.60) MEN1KMT2AKDM4EKCNH2HTR2A
SCHEMBL3305918 0.78 KCNH2 (0.62) MEN1KMT2AKDM4EKCNH2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036909-B1 QUATERNARY AMMONIUM SALT COMPOUNDS OF SPIROCYCLOPIPERAZINES, PREPARATION METHODS AND USES THEREOF UNIV BEIJING (CN) 2016-05-04 EP disclosed
US-9133195-B2 Quaternary ammonium salt compounds of spirocyclopiperazines, preparation methods and uses thereof PEKING UNIVERSITY (CN) 2015-09-15 US disclosed
US-20090325929-A1 QUATERNARY AMMONIUM SALT COMPOUNDS OF SPIROCYCLOPIPERAZINES, PREPARATION METHODS AND USES THEREOF PEKING UNIVERSITY (CN) 2009-12-31 US disclosed
EP-2036909-A1 QUATERNARY AMMONIUM SALT COMPOUNDS OF SPIROCYCLOPIPERAZINES, PREPARATION METHODS AND USES THEREOF Peking University (CN) 2009-03-18 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-20090325929-A1 QUATERNARY AMMONIUM SALT COMPOUNDS OF SPIROCYCLOPIPERAZINES, PREPARATION METHODS AND USES THEREOF CHRM4, CHRM1, CHRNA4 MEN1 2868/4885KMT2A 1695/4885KDM4E 2070/4885

“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.