SCHEMBL6579342

SCHEMBL6579342

CN(C)C(c1ccccc1)C(O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 2/20 0.45
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP2C9 P11712 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TRPA1 O75762 1/20 0.40
HTT P42858 1/20 0.39
SLC6A2 P23975 2/20 0.38
HTR2A P28223 2/20 0.38
HRH1 P35367 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
FDPS P14324 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
AOC3 Q16853 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37

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
SCHEMBL6579332 1.00 KCNA5 (0.45) KCNA5ALDH1A1KDM4ECYP2C9CYP1A2
SCHEMBL6577654 0.78 TRPA1 (0.46) ALDH1A1CYP2C9CYP1A2CYP2C19TRPA1
SCHEMBL6577648 0.78 TRPA1 (0.46) ALDH1A1CYP2C9CYP1A2CYP2C19TRPA1
SCHEMBL6577676 0.75 OPRK1 (0.43) ALDH1A1KDM4ECYP2C9CYP1A2CYP2C19
SCHEMBL6577672 0.75 OPRK1 (0.43) ALDH1A1KDM4ECYP2C9CYP1A2CYP2C19
SCHEMBL10539701 0.75 KCNA5 (0.51) KCNA5ALDH1A1KDM4ECYP2C9HTT
SCHEMBL4445459 0.72 TRPA1 (0.52) KCNA5CYP2C9CYP1A2CYP2C19TRPA1
SCHEMBL6580073 0.72 TRPA1 (0.41) ALDH1A1CYP2C9CYP1A2CYP2C19TRPA1
SCHEMBL6580062 0.72 TRPA1 (0.41) ALDH1A1CYP2C9CYP1A2CYP2C19TRPA1
SCHEMBL1153631 0.72 CYP1A2 (0.45) KCNA5KDM4ECYP2C9CYP1A2CYP2C19

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 KCNA5 4093/4885ALDH1A1 145/4885KDM4E 1456/4885

“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.