SCHEMBL4851652

SCHEMBL4851652

CN(C)CCNCCN1C(=O)C=C(Br)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 1/20 0.40
KDM1A O60341 1/20 0.36
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
FGFR1 P11362 2/20 0.34
KDR P35968 2/20 0.34
PDGFRA P16234 1/20 0.34
TERT O14746 2/20 0.33
HEXA P06865 2/20 0.33
HEXB P07686 2/20 0.33
OGA O60502 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL4845878 0.84 RGS4 (0.46) RGS4KDM1ATERTHEXAHEXB
SCHEMBL4855647 0.80 RGS4 (0.41) RGS4CYP2C19TERTHEXAHEXB
SCHEMBL3469706 0.71 RGS4 (0.50) RGS4MEN1ALDH1A1LMNAMAPT
SCHEMBL4852834 0.68 RGS4 (0.47) RGS4NPC1ALDH1A1MAPT
SCHEMBL4848235 0.68 RGS4 (0.44) RGS4KDM1ATERTKDM4EALDH1A1
SCHEMBL4852057 0.68 RGS4 (0.50) RGS4HEXAHEXBKDM4EMEN1
SCHEMBL4850588 0.67 RGS4 (0.46) RGS4MEN1NPC1ALDH1A1LMNA
SCHEMBL3470129 0.67 RGS4 (0.53) RGS4MEN1ALDH1A1LMNAPOLB
SCHEMBL18919456 0.67 RGS4 (0.40) RGS4
SCHEMBL22920989 0.65 HEXA (0.39) TERTHEXAHEXBOGA

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 RGS4 3547/4885KDM1A 3790/4885CYP2C9 457/4885

“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.