SCHEMBL6575401

SCHEMBL6575401

CN(C)[C@@H](Cc1ccccc1)[C@@H](O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 7/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ACP3 P15309 1/20 0.44
UBE2N P61088 1/20 0.43
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
CHRM1 P11229 1/20 0.42

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
SCHEMBL15743820 0.81 AOC3 (0.73) AOC3KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL3252189 0.81 KDM4E (0.62) AOC3KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL5525965 0.81 KDM4E (0.62) AOC3KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL3251773 0.81 KDM4E (0.62) AOC3KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL5109281 0.81 KDM4E (0.62) AOC3KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL3244542 0.81 KDM4E (0.62) AOC3KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL6577786 0.81 AOC3 (0.73) AOC3KDM4EALDH1A1SLC6A2SLC6A4
SCHEMBL1389408 0.79 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3ADRA2C
SCHEMBL8488425 0.79 GAA (0.48) AOC3KDM4EALDH1A1UBE2NCHRM1
SCHEMBL14068829 0.78 TACR1 (0.56) AOC3KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040236118-A1 Pyrrolidine derivatives and method of synthesizing these EIZAI CO., LTD (JP) 2004-11-25 US disclosed
EP-1413574-A1 PYRROLIDINE DERIVATIVES AND METHOD OF SYNTHESIZING THESE Eizai Co., Ltd. (JP) 2004-04-28 EP 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-20040236118-A1 Pyrrolidine derivatives and method of synthesizing these ADH1C, ADH5, ADH1A AOC3 1294/4885KDM4E 1456/4885ALDH1A1 145/4885

“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.