SCHEMBL6504737

SCHEMBL6504737

CN(C)C=CC(=O)c1ccc(OCCNC(=O)OCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 2/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.54
HSP90AA1 P07900 1/20 0.54
RAB9A P51151 1/20 0.54
LMNA P02545 2/20 0.53
KMT2A Q03164 1/20 0.53
RECQL P46063 1/20 0.49
HPGD P15428 1/20 0.48
BCHE P06276 4/20 0.47
ACHE P22303 4/20 0.47
HTT P42858 2/20 0.47
GAA P10253 1/20 0.47
MAOB P27338 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL6504735 1.00 MAPT (0.65) MAPTL3MBTL1SMN1; SMN2ALDH1A1NPC1
Water SCHEMBL9210675 0.84 L3MBTL1 (0.67) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL24627827 0.84 L3MBTL1 (0.70) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL5906811 0.84 ALDH1A1 (0.68) MAPTSMN1; SMN2ALDH1A1NPC1POLB
SCHEMBL5906815 0.84 ALDH1A1 (0.68) MAPTSMN1; SMN2ALDH1A1NPC1POLB
SCHEMBL9205258 0.83 L3MBTL1 (0.75) MAPTL3MBTL1SMN1; SMN2ALDH1A1NPC1
SCHEMBL20500014 0.82 L3MBTL1 (0.74) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL3811564 0.81 L3MBTL1 (0.80) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL6331080 0.80 L3MBTL1 (0.71) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL20008740 0.80 L3MBTL1 (0.71) MAPTL3MBTL1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6864268-B2 β3 adrenergic receptor agonists PFIZER INC. (US) 2005-03-08 US disclosed
EP-1485379-A1 BETA 3-ADRENERGIC RECEPTOR AGONISTS Pfizer Products Inc. (US) 2004-12-15 EP disclosed
US-20030212063-A1 beta3 adrenergic receptor agonists PFIZER INC. 2003-11-13 US disclosed
WO-2003072572-A1 BETA3-ADRENERGIC RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2003-09-04 WO 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-20030212063-A1 beta3 adrenergic receptor agonists ADRB3, ADRB1, ADRB2 MAPT 1615/4885L3MBTL1 2895/4885SMN1; SMN2 1782/4885

“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.