SCHEMBL3408089

SCHEMBL3408089

O=C(O)N1CC[C@H](N2CCC(N[C@H]3CCCC[C@@H]3O)CC2)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 11/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
L3MBTL3 Q96JM7 2/20 0.36
OPRM1 P35372 1/20 0.34
THRB P10828 1/20 0.34
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL13697342 0.82 EPHX1 (0.48) OPRK1L3MBTL1OPRM1THRBATM
SCHEMBL3407713 0.74 CHRM2 (0.47)
SCHEMBL3400330 0.74 L3MBTL3 (0.57) L3MBTL1L3MBTL3MEN1KMT2A
SCHEMBL29676554 0.74 L3MBTL3 (0.57) L3MBTL1L3MBTL3MEN1KMT2A
SCHEMBL3401436 0.74 L3MBTL3 (0.57) L3MBTL1L3MBTL3MEN1KMT2A
SCHEMBL4779807 0.74 L3MBTL3 (0.53) L3MBTL1L3MBTL3MEN1KMT2A
SCHEMBL3407543 0.74 L3MBTL1 (0.35) OPRK1L3MBTL1L3MBTL3THRBATM
SCHEMBL27821605 0.72 L3MBTL3 (0.56) L3MBTL1L3MBTL3MEN1KMT2A
SCHEMBL671290 0.71 THRB (0.51) OPRK1L3MBTL1THRBATMPOLB
SCHEMBL4112587 0.71 THRB (0.51) OPRK1L3MBTL1THRBATMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257543-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 AstraZeneca AB (SE) 2010-12-08 EP 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

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 OPRK1 32/4885L3MBTL1 3617/4885L3MBTL3 3813/4885

“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.