SCHEMBL8002644

SCHEMBL8002644

CC(C)(C)OC(=O)N1CCC(NC2CCCC[C@@H]2OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.50
EPHX1 P07099 1/20 0.49
GPR119 Q8TDV5 2/20 0.48
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.47
KLK7 P49862 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
YAP1 P46937 3/20 0.45
LMNA P02545 1/20 0.45
PRMT5 O14744 1/20 0.45
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
NTSR1 P30989 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44

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
SCHEMBL3405533 1.00 STS (0.50) STSEPHX1GPR119JAK2JAK1
SCHEMBL1134427 1.00 STS (0.50) STSEPHX1GPR119JAK2JAK1
SCHEMBL13697321 0.98 STS (0.50) STSEPHX1GPR119JAK2JAK1
SCHEMBL13697341 0.91 JAK2 (0.49) STSEPHX1GPR119JAK2JAK1
SCHEMBL8219110 0.80 PDE4B (0.55) STSEPHX1L3MBTL1MAPTMAPK1
SCHEMBL3249107 0.79 STS (0.58) STSGPR119JAK2JAK1KDM4E
SCHEMBL3407713 0.79 CHRM2 (0.47) KDM4EMAPTALDH1A1
SCHEMBL4101583 0.79 CHRM2 (0.47) KDM4EMAPTALDH1A1
SCHEMBL4380010 0.78 KMT2A (0.51) KDM4EKLK7L3MBTL1MAPTALDH1A1
SCHEMBL1928743 0.78 KMT2A (0.51) KDM4EKLK7L3MBTL1MAPTALDH1A1

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
WO-2009136850-A1 MUSCARINIC RECEPTOR AGONITS USEFUL IN THE TREATMENT OF PAIN, ALZHEIMER'S DISEASE AND SCHIZOPHRENIA ASTRAZENECA AB (SE) 2009-11-12 WO disclosed
WO-2009108117-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 ASTRAZENECA AB (SE) 2009-09-03 WO disclosed
US-20090221567-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221567-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 ASTRAZENECA AB (SE) 2009-09-03 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-20090221567-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 CHRM1, CHRM2, CHRM3 STS 3862/4885EPHX1 786/4885GPR119 135/4885

“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.