SCHEMBL4523080

SCHEMBL4523080

CC(=O)OCC[C@@H]1CCN(C(=O)O)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.38
CHRM4 P08173 2/20 0.36
TACR2 P21452 1/20 0.35
TEAD1 P28347 1/20 0.35
TEAD3 Q99594 1/20 0.35
MAPT P10636 2/20 0.33
TACR3 P29371 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.33
BRD4 O60885 1/20 0.32

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
SCHEMBL12545725 0.81 CHRM4 (0.39) SLC18A3CHRM4TEAD1TEAD3MAPT
SCHEMBL6399672 0.81 GPR119 (0.45)
SCHEMBL27660322 0.79 GAA (0.39) SLC18A3CHRM4TACR2TEAD1TEAD3
SCHEMBL25288406 0.78 GPR119 (0.34) TEAD1TEAD3TACR3L3MBTL1ALDH1A1
SCHEMBL2126084 0.78 GPR119 (0.34) TEAD1TEAD3TACR3L3MBTL1ALDH1A1
SCHEMBL2126089 0.78 GPR119 (0.34) TEAD1TEAD3TACR3L3MBTL1ALDH1A1
SCHEMBL14272699 0.78 GNAI3 (0.40) MAPTTACR3L3MBTL1ALDH1A1
SCHEMBL4523791 0.75 AKR1C3 (0.46) TACR3BRD4
SCHEMBL2337182 0.75 AKR1C3 (0.46) TACR3BRD4
SCHEMBL2337183 0.75 AKR1C3 (0.46) TACR3BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504432-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-03-17 US disclosed
US-20070129397-A1 Ester derivatives MSD K.K. (JP) 2007-06-07 US disclosed
US-7192969-B2 Ester derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20050065211-A1 Ester derivatives MSD K.K. (JP) 2005-03-24 US disclosed
EP-1302458-A1 ESTER DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-04-16 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 (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-20070129397-A1 Ester derivatives CHRM3, CHRM2, CHRM1 SLC18A3 628/4885CHRM4 4/4885TACR2 186/4885
US-20050065211-A1 Ester derivatives CHRM3, CHRM2, CHRM1 SLC18A3 647/4885CHRM4 4/4885TACR2 197/4885

“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.