SCHEMBL3409060

SCHEMBL3409060

CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1cc(F)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.40
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC2 Q92769 4/20 0.37
HDAC1 Q13547 3/20 0.37
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRA6 Q16445 1/20 0.35
APP P05067 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK14 Q16539 6/20 0.35
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33

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
SCHEMBL3412067 0.88 LMNA (0.39) KEAP1LMNAKMT2AHDAC2HDAC1
SCHEMBL5006583 0.78 KDM4E (0.48) LMNAHDAC1ALDH1A1
SCHEMBL3412184 0.78 LMNA (0.35) LMNAKMT2AAPPALOX5APFEN1
SCHEMBL3414451 0.78 LMNA (0.43) LMNAKMT2AALDH1A1
SCHEMBL16068693 0.77 CES2 (0.40) LMNAKMT2AAPPALDH1A1MAPK14
SCHEMBL5074321 0.76 ALDH1A1 (0.33) LMNAKMT2AAPPALDH1A1
SCHEMBL27855745 0.75 KEAP1 (0.53) KEAP1KMT2AHDAC2HDAC1ALDH1A1
SCHEMBL3410012 0.75 LMNA (0.35) LMNAKMT2AAPPALOX5APFEN1
SCHEMBL3410406 0.74 ALDH1A1 (0.46) LMNAKMT2AALDH1A1
SCHEMBL3005773 0.74 LMNA (0.40) LMNAKMT2AALDH1A1

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
EP-2262795-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF AstraZeneca AB (SE) 2010-12-22 EP disclosed
WO-2009110844-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF ASTRAZENECA AB (SE) 2009-09-11 WO disclosed
US-20090221642-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF-176 ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221642-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF-176 ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221642-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF-176 ASTRAZENECA AB (SE) 2009-09-03 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-20090221642-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF-176 CHRM1, CHRM2, CHRM3 KEAP1 1805/4885LMNA 2488/4885KMT2A 2088/4885

“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.