SCHEMBL3414451

SCHEMBL3414451

CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 3/20 0.38
CFTR P13569 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
GRM6 O15303 1/20 0.35
BCHE P06276 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
LTA4H P09960 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
SCHEMBL5982890 0.92 LMNA (0.40) LMNAKMT2AALDH1A1HSD17B10CFTR
SCHEMBL16410353 0.85 APP (0.37) LMNAKMT2AALDH1A1HSD17B10CFTR
SCHEMBL1427758 0.85 ALDH1A1 (0.37) LMNAKMT2AALDH1A1HSD17B10CFTR
SCHEMBL7203924 0.85 AAK1 (0.39) LMNAKMT2AALDH1A1HSD17B10CFTR
SCHEMBL28996258 0.80 ALDH1A1 (0.56) KMT2AALDH1A1HSD17B10CFTR
SCHEMBL3005773 0.79 LMNA (0.40) LMNAKMT2AALDH1A1HSD17B10
SCHEMBL28883802 0.79 AAK1 (0.38) LMNAKMT2AALDH1A1HSD17B10CFTR
SCHEMBL3412067 0.78 LMNA (0.39) LMNAKMT2A
SCHEMBL3409060 0.78 KEAP1 (0.40) LMNAKMT2AALDH1A1
SCHEMBL7244296 0.78 AAK1 (0.44) LMNAKMT2AAAK1

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 6 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
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 LMNA 2488/4885KMT2A 2088/4885ALDH1A1 1441/4885

“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.