SCHEMBL1632054

SCHEMBL1632054

C[C@H]1CN(Cc2cccc(Br)n2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.44
MAP4K4 O95819 1/20 0.42
SETD7 Q8WTS6 2/20 0.41
GPR119 Q8TDV5 2/20 0.40
CALCA P06881 1/20 0.39
HDAC1 Q13547 1/20 0.39
ACHE P22303 1/20 0.38
TERT O14746 1/20 0.37
NR1H2 P55055 3/20 0.37
NR1H3 Q13133 1/20 0.37
MGLL Q99685 2/20 0.37
PARP1 P09874 1/20 0.36
UCHL1 P09936 1/20 0.36
SUV39H2 Q9H5I1 1/20 0.36
HTR1A P08908 1/20 0.35
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35

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
SCHEMBL4047974 0.84 FAAH (0.52) FAAHACHEMGLL
SCHEMBL16061780 0.82 FAAH (0.58) FAAHACHETERTPARP1
SCHEMBL1632681 0.80 POLB (0.47) FAAHSETD7GPR119NR1H2NR1H3
SCHEMBL1633735 0.79 CHRM3 (0.42) MAP4K4SETD7GPR119CALCAHDAC1
SCHEMBL31383652 0.79 MAP4K4 (0.58) MAP4K4SETD7GPR119HDAC1NR1H2
SCHEMBL31383595 0.79 MAP4K4 (0.58) MAP4K4SETD7GPR119HDAC1NR1H2
SCHEMBL18822794 0.79 GPR119 (0.48) MAP4K4SETD7GPR119HDAC1MGLL
SCHEMBL7968974 0.78 MGLL (0.49) GPR119NR1H2NR1H3MGLL
SCHEMBL3664004 0.78 MGLL (0.49) GPR119NR1H2NR1H3MGLL
SCHEMBL3664002 0.78 MGLL (0.49) GPR119NR1H2NR1H3MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932247-B2 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2011-04-26 US disclosed
US-7932247-B2 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2011-04-26 US disclosed
US-7932247-B2 M3 muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2011-04-26 US disclosed
US-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED 2009-10-08 US disclosed
US-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED 2009-10-08 US disclosed
US-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-06-11 US disclosed
US-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-06-11 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 (2 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-20090149447-A1 Novel M3 Muscarinic Acetylcholine Receptor Antagonists CHRM3, CHRM2, CHRNA3 FAAH 1638/4885MAP4K4 4071/4885SETD7 1060/4885
US-20090253908-A1 NOVEL M3 MUSCARINIC ACETYLCHOINE RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRNA3 FAAH 1557/4885MAP4K4 3294/4885SETD7 1525/4885

“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.