SCHEMBL463685

SCHEMBL463685

CCOC(=O)CN1CCN(CC(=O)OCC)CCN(C(CCCN2C(=O)C3=C(CCC=C3)C2=O)C(=O)OCc2ccccc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
TMEM97 Q5BJF2 4/20 0.33
SIGMAR1 Q99720 4/20 0.33
SLC6A2 P23975 2/20 0.33
HRH2 P25021 2/20 0.33
HRH1 P35367 2/20 0.33
CHRM5 P08912 2/20 0.33
HTR1A P08908 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR1E P28566 1/20 0.33
HTR2B P41595 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRM1 P11229 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL409787 0.85 MAOB (0.44) ALDH1A1
SCHEMBL1673004 0.85 MAOB (0.44) ALDH1A1
SCHEMBL14546658 0.83 MAOB (0.42) ALDH1A1
SCHEMBL12342849 0.77 MAOB (0.39) ALDH1A1TMEM97SIGMAR1HTR1AHTR2A
SCHEMBL13349200 0.76 MAOB (0.45) ALDH1A1MEN1KMT2AHTR1A
SCHEMBL4363846 0.67 MAOB (0.41) ALDH1A1MEN1POLBKMT2AHTR1A
SCHEMBL21917467 0.67 BCHE (0.42) ALDH1A1MEN1POLBKMT2ATMEM97
SCHEMBL409358 0.67 TDP1 (0.41)
SCHEMBL1672995 0.67 TDP1 (0.41)
SCHEMBL410521 0.65 MAOB (0.47) ALDH1A1MEN1KMT2AHTR1AADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 GUERBET (FR) 2012-03-15 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-20120064003-A1 COMPLEX FOLATE-NOTA-Ga68 FOLR1, FOLR2, DHFR ALDH1A1 1885/4885MEN1 1282/4885POLB 1838/4885

“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.