SCHEMBL22340929

SCHEMBL22340929

COc1ccc(CN(CCc2ccccc2)CC(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.58
BCHE P06276 4/20 0.56
ALOX5 P09917 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
LPAR1 Q92633 1/20 0.48
LPAR5 Q9H1C0 1/20 0.48
KCNH2 Q12809 1/20 0.48
LTA4H P09960 1/20 0.47
CALM1 P0DP23 1/20 0.47
CAMKK2 Q96RR4 1/20 0.47
TSHR P16473 1/20 0.47
NR1H3 Q13133 1/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.46

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
SCHEMBL29335335 0.90 AOC3 (0.54) AOC3BCHEALOX5L3MBTL1LPAR1
SCHEMBL12128228 0.84 BCHE (0.62) AOC3BCHEALOX5L3MBTL1LPAR1
SCHEMBL12128183 0.84 BCHE (0.62) AOC3BCHEALOX5L3MBTL1LPAR1
SCHEMBL29336127 0.82 BCHE (0.67) BCHEALOX5L3MBTL1KCNH2TSHR
SCHEMBL1966445 0.82 L3MBTL1 (0.65) AOC3BCHEL3MBTL1ALDH1A1CYP1A2
SCHEMBL29334351 0.80 BCHE (0.60) BCHEALOX5L3MBTL1TSHRMAPT
SCHEMBL20871295 0.79 ALOX5 (0.51) AOC3BCHEALOX5LPAR1LPAR5
SCHEMBL28778941 0.79 LTA4H (0.67) LTA4HCALM1CAMKK2TSHRTAS2R14
SCHEMBL16701049 0.79 LTA4H (0.67) LTA4HCALM1CAMKK2TSHRTAS2R14
SCHEMBL20871137 0.79 BCHE (0.59) BCHEALOX5L3MBTL1KCNH2

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-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines Universite Paris-Saclay (FR) 2021-06-15 US disclosed
US-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES Universite Paris-Saclay (FR) 2020-08-13 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 (2 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-20200255369-A1 NEW METHOD FOR THE SYNTHESIS OF UNSYMMETRICAL TERTIARY AMINES ADH1C, ADH1A, ADH5 AOC3 12/4885BCHE 307/4885ALOX5 1892/4885
US-11034646-B2 Method for the synthesis of unsymmetrical tertiary amines ADH1C, PNMT, ADH1A AOC3 13/4885BCHE 256/4885ALOX5 2000/4885

“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.