SCHEMBL3407951

SCHEMBL3407951

O=C1OC[C@H]2CCCC[C@@H]2N1C1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.34
PDE4D Q08499 2/20 0.34
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
GRM5 P41594 2/20 0.32
PLG P00747 1/20 0.30

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
SCHEMBL3410138 1.00 PDE4B (0.34) PDE4BPDE4DOPRM1OPRK1OPRL1
SCHEMBL3410135 1.00 PDE4B (0.34) PDE4BPDE4DOPRM1OPRK1OPRL1
SCHEMBL3412436 0.92 OPRM1 (0.43) PDE4BPDE4DOPRM1OPRK1OPRL1
SCHEMBL3412429 0.92 OPRM1 (0.43) PDE4BPDE4DOPRM1OPRK1OPRL1
SCHEMBL3412434 0.92 OPRM1 (0.43) PDE4BPDE4DOPRM1OPRK1OPRL1
SCHEMBL3405677 0.76 L3MBTL3 (0.33) PDE4BPDE4DOPRM1OPRK1OPRL1
SCHEMBL3412261 0.76 L3MBTL3 (0.33) PDE4BPDE4DOPRM1OPRK1OPRL1
SCHEMBL3412257 0.76 L3MBTL3 (0.33) PDE4BPDE4DOPRM1OPRK1OPRL1
SCHEMBL3780481 0.75 PLG (0.33) PLG
SCHEMBL3058463 0.75 PLG (0.33) PLG

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 5 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
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 PDE4B 353/4885PDE4D 311/4885OPRM1 6/4885

“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.