SCHEMBL6828707

SCHEMBL6828707

COc1ccccc1C(C)(O)[C@@H]1CC(=O)N([C@H](C)c2ccccc2)C1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
MAPK1 P28482 1/20 0.43
HTT P42858 2/20 0.39
MAPT P10636 2/20 0.37
HTR1A P08908 3/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
GRM5 P41594 1/20 0.35
MEN1 O00255 2/20 0.35
P2RX7 Q99572 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL12414686 0.81 KMT2A (0.62) KMT2AMAPK1MAPTALDH1A1GRM5
SCHEMBL2182928 0.81 KMT2A (0.62) KMT2AMAPK1MAPTALDH1A1GRM5
SCHEMBL20306360 0.75 SMN1; SMN2 (0.44) KMT2AMAPK1HTTMAPTALDH1A1
SCHEMBL5619675 0.74 KMT2A (0.65) KMT2AMAPK1MAPTALDH1A1
SCHEMBL523337 0.73 KMT2A (0.51) KMT2AMAPK1MAPTALDH1A1GRM5
SCHEMBL10013279 0.71 KMT2A (0.58) KMT2AMAPK1ALDH1A1GRM5CYP3A4
SCHEMBL14310707 0.70 KMT2A (0.71) KMT2AMAPK1MAPTGRM5ALOX15
SCHEMBL9428951 0.70 KMT2A (0.71) KMT2AMAPK1MAPTGRM5ALOX15
SCHEMBL739505 0.70 KMT2A (0.71) KMT2AMAPK1MAPTGRM5ALOX15
SCHEMBL4748004 0.69 KMT2A (0.75) KMT2AMAPK1MAPTALDH1A1GAA

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-20040209940-A1 Aminomethylpyrrolidine derivatives having aromatic substituents DAIICHI PHARMACEUTICAL CO., LTD. 2004-10-21 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-20040209940-A1 Aminomethylpyrrolidine derivatives having aromatic substituents Q6ZSR9, NAT1, NAT10 KMT2A 630/4885MAPK1 1910/4885HTT 3843/4885

“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.