SCHEMBL1633894

SCHEMBL1633894

C[C@H]1CN(Cc2cccc(Br)c2)CCN1C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.52
PDK2 Q15119 1/20 0.52
PDK3 Q15120 1/20 0.52
PDK4 Q16654 1/20 0.52
POLB P06746 1/20 0.48
KDM4E B2RXH2 2/20 0.48
FAAH O00519 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 3/20 0.46
TMEM97 Q5BJF2 2/20 0.46
MGLL Q99685 2/20 0.45
HTR2C P28335 1/20 0.45
SLC18A3 Q16572 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
CYP2C9 P11712 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL1703970 0.89 PDK1 (0.53) PDK1PDK2PDK3PDK4FAAH
SCHEMBL14646619 0.89 PDK1 (0.59) PDK1PDK2PDK3PDK4SIGMAR1
SCHEMBL4055766 0.85 KDM4E (0.52) POLBKDM4EFAAHMEN1KMT2A
SCHEMBL1632681 0.84 POLB (0.47) POLBKDM4EFAAHMEN1KMT2A
SCHEMBL1704568 0.83 PDK1 (0.53) PDK1PDK2PDK3PDK4SIGMAR1
SCHEMBL1705195 0.83 PDK1 (0.53) PDK1PDK2PDK3PDK4SIGMAR1
SCHEMBL13895357 0.82 PDK1 (0.59) PDK1PDK2PDK3PDK4SIGMAR1
SCHEMBL13895353 0.82 PDK1 (0.59) PDK1PDK2PDK3PDK4SIGMAR1
SCHEMBL23301159 0.81 KDM4E (0.65) POLBKDM4EFAAHMEN1KMT2A
SCHEMBL29943050 0.81 KDM4E (0.65) POLBKDM4EFAAHMEN1KMT2A

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-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
US-20090142279-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-04 US disclosed
US-20090142279-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-06-04 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 PDK1 4385/4885PDK2 4429/4885PDK3 4044/4885
US-20090142279-A1 NOVEL M3 MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS CHRM3, CHRM2, CHRNA3 PDK1 4385/4885PDK2 4429/4885PDK3 4044/4885

“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.