SCHEMBL4850355

SCHEMBL4850355

O=C1C=C(Br)C(=O)N1CCN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
RGS4 P49798 1/20 0.44
MAPT P10636 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 1/20 0.41
MPI P34949 1/20 0.41
GRM5 P41594 1/20 0.41
KDM1A O60341 1/20 0.41
KDM4E B2RXH2 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
DAO P14920 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR6 P50406 1/20 0.38
TSHR P16473 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALDH3A1 P30838 1/20 0.38
MALT1 Q9UDY8 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
SCHEMBL24120011 0.76 MGLL (0.48) CNR1MAPTALDH1A1KMT2ALMNA
SCHEMBL4852057 0.72 RGS4 (0.50) RGS4MAPTALDH1A1KMT2ALMNA
SCHEMBL8556230 0.70 GRM5 (0.66) MAPTALDH1A1KMT2ALMNAGRM5
SCHEMBL16047323 0.69 GRM5 (0.47) CNR1MAPTALDH1A1KMT2AGRM5
Hydrochloric Acid SCHEMBL27657032 0.69 GRM5 (0.64) MAPTALDH1A1KMT2ALMNAGRM5
SCHEMBL20574477 0.68 RGS4 (0.50) RGS4MAPTALDH1A1KMT2ALMNA
SCHEMBL4845878 0.68 RGS4 (0.46) RGS4MAPTALDH1A1KMT2ALMNA
SCHEMBL3470129 0.67 RGS4 (0.53) CNR1RGS4MAPTALDH1A1KMT2A
SCHEMBL235080 0.67 KDM4E (0.65) ALDH1A1KDM4EDAOTSHRCA1
SCHEMBL19588475 0.67 ADRA1B (0.47) CNR1ALDH1A1KMT2AKDM1AKDM4E

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
US-7378419-B2 9-amino-podophyllotoxin derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives LES LABORATOIRES SERVIER (FR) 2008-05-27 US disclosed
EP-1664055-B9 9-AMINO-PODOPHYLLOTOXIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SERVIER LAB (FR) 2007-10-10 EP disclosed
EP-1664055-B1 9-AMINO-PODOPHYLLOTOXIN DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES SERVIER LAB (FR) 2006-12-13 EP disclosed
US-20060247246-A1 9-Amino-podophyllotoxin derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-11-02 US 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-20060247246-A1 9-Amino-podophyllotoxin derivatives, method for the production thereof and pharmaceutical compositions containing said derivatives SIK2, PTK2B, PLK2 CNR1 1904/4885RGS4 3547/4885MAPT 4639/4885

“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.