SCHEMBL4425740

SCHEMBL4425740

CCOC(=O)N1CCC(N2CCC(N3C(=O)NCC4CCCCC43)CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 3/20 0.51
MAPK1 P28482 1/20 0.48
TP53 P04637 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CHRM2 P08172 3/20 0.47
CHRM4 P08173 2/20 0.47
CHRM5 P08912 1/20 0.47
CHRM3 P20309 1/20 0.47
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41

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
SCHEMBL3405713 1.00 CHRM1 (0.51) CHRM1MAPK1TP53TDP1CHRM2
SCHEMBL3405470 0.93 CHRM1 (0.44) CHRM1MAPK1TP53TDP1CHRM2
SCHEMBL3404628 0.86 OPRM1 (0.45) CHRM1MAPK1TP53TDP1CHRM2
SCHEMBL3409660 0.85 OPRM1 (0.43) KDM4ETHRBOPRM1OPRL1
SCHEMBL3409201 0.84 MAPK1 (0.38) CHRM1MAPK1TP53TDP1CHRM4
SCHEMBL1929062 0.84 CHRM1 (0.53) CHRM1MAPK1TP53TDP1CHRM2
SCHEMBL12532093 0.81 OPRL1 (0.64) CHRM1MAPK1TP53TDP1CHRM2
SCHEMBL1930080 0.81 OPRL1 (0.64) CHRM1MAPK1TP53TDP1CHRM2
SCHEMBL1930233 0.81 OPRL1 (0.64) CHRM1MAPK1TP53TDP1CHRM2
SCHEMBL1930123 0.81 OPRL1 (0.64) CHRM1MAPK1TP53TDP1CHRM2

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 1 patent. 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 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 1/4885MAPK1 2109/4885TP53 3378/4885

“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.