SCHEMBL5645211

SCHEMBL5645211

CN([C]=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 7/20 0.42
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
IDO1 P14902 1/20 0.40
ALOX5 P09917 1/20 0.39
AGXT P21549 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
AR P10275 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HBB P68871 1/20 0.38
EPHX2 P34913 1/20 0.38
AOC3 Q16853 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
SLC6A2 P23975 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
SCHEMBL7299434 0.77 ALDH1A1 (0.40) TSHRALDH1A1MAPTHPGDIDO1
SCHEMBL24632162 0.76 TSHR (0.52) TSHRALDH1A1MAPTHPGDIDO1
SCHEMBL1674458 0.76 TSHR (0.52) TSHRALDH1A1MAPTHPGDIDO1
SCHEMBL19693528 0.76 IDO1 (0.45) TSHRALDH1A1MAPTIDO1AGXT
SCHEMBL10822966 0.73 ALDH1A1 (0.41) TSHRALDH1A1MAPTHPGDALOX5
SCHEMBL10627501 0.72 ALDH1A1 (0.52) TSHRALDH1A1MAPTHPGDALOX5
SCHEMBL23964518 0.72 TAAR1 (0.52) TSHRALDH1A1TAAR1
SCHEMBL1579716 0.72 TSHR (0.43) TSHRALDH1A1MAPTHPGDIDO1
SCHEMBL26801 0.72 ALDH1A1 (0.60) TSHRALDH1A1CA2CA9AOC3
SCHEMBL21484985 0.71 TSHR (0.46) TSHRALDH1A1MAPTHPGDIDO1

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-20070049620-A1 Cyclic tertiary amine compound SANKYO COMPANY, LIMITED (JP) 2007-03-01 US disclosed
EP-1632488-A1 CYCLIC TERTIARY AMINE COMPOUND Sankyo Company, Limited (JP) 2006-03-08 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-20070049620-A1 Cyclic tertiary amine compound MYD88, IL5, BRD4 TSHR 499/4885ALDH1A1 1438/4885MAPT 3395/4885

“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.