SCHEMBL4848235

SCHEMBL4848235

CN1CCN(CCN2C(=O)C=C(Br)C2=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 1/20 0.44
KDM1A O60341 1/20 0.41
ALDH1A1 P00352 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALDH3A1 P30838 1/20 0.38
HTR1A P08908 2/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR6 P50406 1/20 0.36
TERT O14746 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL4850355 0.83 CNR1 (0.46) RGS4KDM1AALDH1A1CA1CA2
SCHEMBL3469706 0.76 RGS4 (0.50) RGS4ALDH1A1RAB9A
SCHEMBL15269602 0.76 MGLL (0.48) KDM1AALDH1A1CA1CA2ALDH3A1
SCHEMBL4852834 0.73 RGS4 (0.47) RGS4ALDH1A1ALDH3A1RAB9A
SCHEMBL4852057 0.72 RGS4 (0.50) RGS4ALDH1A1KDM4ERAB9A
SCHEMBL4850588 0.71 RGS4 (0.46) RGS4ALDH1A1RAB9A
SCHEMBL4845878 0.71 RGS4 (0.46) RGS4KDM1AALDH1A1HTR1ADRD2
SCHEMBL3470129 0.71 RGS4 (0.53) RGS4ALDH1A1
SCHEMBL6954706 0.70 HTR1A (0.64) ALDH1A1CA1CA2ALDH3A1HTR1A
SCHEMBL30249433 0.70 HTR1A (0.64) ALDH1A1CA1CA2ALDH3A1HTR1A

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 3790/4885ALDH1A1 3950/4885

“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.