SCHEMBL6204537

SCHEMBL6204537

CC(C)(C)OC(=O)N1CCC(COC(=O)Nc2ccccc2B2OC(C)(C)C(C)(C)O2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
TGFBR1 P36897 4/20 0.44
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43
USP30 Q70CQ3 1/20 0.43
CHRM3 P20309 5/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
KDM1A O60341 1/20 0.42
BCHE P06276 2/20 0.41
MAOB P27338 2/20 0.41
ACHE P22303 1/20 0.40
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL6421300 0.88 CHRM3 (0.48) CHRM3HDAC3HDAC1HDAC2BCHE
SCHEMBL830217 0.86 USP30 (0.45) KDM4EPKMTGFBR1USP30CHRM3
SCHEMBL6205109 0.81 KDM4E (0.52) KDM4EPKMTGFBR1CHRM3GPR119
SCHEMBL17205165 0.80 TGFBR1 (0.57) KDM4EPKMTGFBR1CHRM3ACHE
SCHEMBL14560 0.78 LIPE (0.48)
SCHEMBL13261270 0.76 STS (0.47) KDM4EPKMUSP30GPR119
SCHEMBL17796971 0.75 CHRM3 (0.53) CHRM3
SCHEMBL17796970 0.75 CHRM3 (0.53) CHRM3
SCHEMBL12105458 0.75 MEN1 (0.42) USP30HDAC1
SCHEMBL1294831 0.75 KMT2A (0.59) KDM4EUSP30

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-20050277676-A1 M3muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2005-12-15 US disclosed
EP-1549278-A4 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2005-12-14 EP disclosed
EP-1549278-A2 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-07-06 EP disclosed
WO-2004012684-A2 M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-02-12 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-20050277676-A1 M3muscarinic acetylcholine receptor antagonists CHRM3, CHRM2, CHRM5 KDM4E 4337/4885PKM 4019/4885TGFBR1 968/4885

“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.