SCHEMBL4487969

SCHEMBL4487969

CC(C)(C)COC(=O)C1CCN(C(=O)O)C1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
GAA P10253 2/20 0.41
HTT P42858 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2794847 0.90 MAPT (0.51) ALDH1A1MAPTMEN1TSHRKMT2A
SCHEMBL21411461 0.85 ALDH1A1 (0.62) ALDH1A1MAPTGAAHTTCYP3A4
SCHEMBL14081979 0.81 MAPT (0.51) ALDH1A1MAPTMEN1TSHRKMT2A
SCHEMBL3989430 0.80 GAA (0.34) ALDH1A1MAPTMEN1TSHRKMT2A
SCHEMBL14081980 0.79 MAPT (0.50) ALDH1A1MAPTMEN1TSHRKMT2A
SCHEMBL28501406 0.79 ALDH1A1 (0.44) ALDH1A1MAPTGAAHTTCYP3A4
SCHEMBL28250542 0.79 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL15398578 0.79 MEN1 (0.35) ALDH1A1MAPTMEN1TSHRKMT2A
SCHEMBL4493181 0.79 HRH3 (0.54) ALDH1A1MAPTMEN1TSHRKMT2A
SCHEMBL4499465 0.79 HRH3 (0.54) ALDH1A1MAPTMEN1TSHRKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3423454-A1 SPIRO-CONDENSED PYRROLIDINE DERIVATIVES AS DEUBIQUITYLATING ENZYMES (DUB) INHIBITORS Mission Therapeutics Limited (GB) 2019-01-09 EP disclosed
US-7485647-B2 2-aminoquinoline derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-02-03 US disclosed
US-20060287340-A1 2-Aminoquinoline derivatives MSD K.K. (JP) 2006-12-21 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 (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-20060287340-A1 2-Aminoquinoline derivatives MCHR2, MC2R, MCHR1 ALDH1A1 1932/4885MAPT 3412/4885MEN1 910/4885

“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.