SCHEMBL4428563

SCHEMBL4428563

[CH2]N1C(=O)COc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.43
DAPK3 O43293 1/20 0.43
RET P07949 1/20 0.43
PRKACA P17612 1/20 0.43
GRK5 P34947 1/20 0.43
CDK8 P49336 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CDK5 Q00535 1/20 0.43
PRKCQ Q04759 1/20 0.43
PTK2 Q05397 1/20 0.43
TNK2 Q07912 1/20 0.43
DYRK1A Q13627 1/20 0.43
CLK4 Q9HAZ1 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
SCHEMBL18937428 0.77 TSHR (0.49) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL30581468 0.77 TSHR (0.53) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL2748218 0.77 TSHR (0.53) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL474484 0.77 CYP11B1 (0.51) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6363072 0.77 TSHR (0.46) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6362106 0.74 HPGD (0.56) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL15762375 0.74 L3MBTL1 (0.47) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL15690661 0.74 ALDH1A1 (0.58) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL18318143 0.73 L3MBTL1 (0.52) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7350158 0.73 ALOX12 (0.47) TSHRMEN1KMT2AL3MBTL1ALDH1A1

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-2024359-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DECEASE AND/OR SCHIZOPHRENIA AstraZeneca AB (SE) 2009-02-18 EP claimed
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 WO claimed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 US claimed
EP-2024359-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DECEASE AND/OR SCHIZOPHRENIA AstraZeneca AB (SE) 2009-02-18 EP disclosed
WO-2007126362-A1 COMPOUNDS THAT ARE AGONISTS OF MUSCARINIC RECEPTORS AND THAT MAY BE EFFECTIVE IN TREATING PAIN, ALZHEIMER'S DISEASE AND/OR SCHIZOPHRENIA ASTRAZENECA AB (SE) 2007-11-08 WO disclosed
US-20070259888-A1 Novel Compounds ASTRAZENECA AB (SE) 2007-11-08 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-20070259888-A1 Novel Compounds OPRL1, OPRM1, SIGMAR1 TSHR 1580/4885MEN1 2497/4885KMT2A 3736/4885

“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.