SCHEMBL3407790

SCHEMBL3407790

COC(=O)N1CCC(N2CCC(N3C(=O)OC[C@H]4CCCC[C@@H]43)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.37
CHRM2 P08172 2/20 0.37
OPRM1 P35372 5/20 0.36
OPRL1 P41146 5/20 0.36
MBTD1 Q05BQ5 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
OPRK1 P41145 2/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACACB O00763 2/20 0.34
ACACA Q13085 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4D Q08499 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL3407654 0.89 CHRM2 (0.42) CHRM1CHRM2OPRM1OPRL1MBTD1
SCHEMBL3405961 0.89 CHRM1 (0.50) CHRM1CHRM2MAPK1TP53TDP1
SCHEMBL3410336 0.88 OPRM1 (0.42) CHRM1CHRM2OPRM1OPRK1TP53
SCHEMBL3410341 0.88 OPRM1 (0.42) CHRM1CHRM2OPRM1OPRK1TP53
SCHEMBL3410334 0.88 OPRM1 (0.42) CHRM1CHRM2OPRM1OPRK1TP53
SCHEMBL3409386 0.85 L3MBTL3 (0.39) OPRM1OPRL1MBTD1L3MBTL3OPRK1
SCHEMBL3412749 0.82 EPHX1 (0.44) CHRM1CHRM2TP53KDM4ESMN1; SMN2
SCHEMBL3412748 0.82 EPHX1 (0.44) CHRM1CHRM2TP53KDM4ESMN1; SMN2
SCHEMBL3409023 0.82 EPHX1 (0.44) CHRM1CHRM2TP53KDM4ESMN1; SMN2
SCHEMBL3405677 0.80 L3MBTL3 (0.33) OPRM1OPRL1MBTD1L3MBTL3OPRK1

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
US-20090221567-A1 MUSCARINIC RECEPTOR AGONISTS, COMPOSITIONS, METHODS OF TREATMENT THEREOF, AND PROCESSES FOR PREPARATION THEREOF 177 ASTRAZENECA AB (SE) 2009-09-03 US claimed
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 CHRM1 1/4885CHRM2 2/4885OPRM1 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.