SCHEMBL22147374

SCHEMBL22147374

CC(C)COC(=O)CN1CCNCCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OCC(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.42
CHRM5 P08912 2/20 0.42
SIGMAR1 Q99720 4/20 0.40
PLA2G10 O15496 1/20 0.38
PLA2G5 P39877 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
CNR1 P21554 1/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
PADI1 Q9ULC6 1/20 0.30
PADI4 Q9UM07 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL21695211 0.90 CHRM5 (0.50) CHRM3CHRM5SIGMAR1SMN1; SMN2CYP3A4
SCHEMBL20179968 0.90 CHRM5 (0.50) CHRM3CHRM5SIGMAR1SMN1; SMN2CYP3A4
SCHEMBL21946897 0.89 CHRM5 (0.51) CHRM3CHRM5SIGMAR1SMN1; SMN2CYP3A4
SCHEMBL583320 0.87 SIGMAR1 (0.49) CHRM3CHRM5SIGMAR1PLA2G10PLA2G5
SCHEMBL1149470 0.87 SIGMAR1 (0.49) CHRM3CHRM5SIGMAR1PLA2G10PLA2G5
SCHEMBL4771744 0.85 SIGMAR1 (0.47) CHRM3CHRM5SIGMAR1PLA2G10PLA2G5
Bromide SCHEMBL583318 0.85 SIGMAR1 (0.47) CHRM3CHRM5SIGMAR1PLA2G10PLA2G5
Hydrochloric Acid SCHEMBL8209880 0.85 SIGMAR1 (0.47) CHRM3CHRM5SIGMAR1PLA2G10PLA2G5
SCHEMBL649131 0.85 SIGMAR1 (0.50) CHRM3CHRM5SIGMAR1PLA2G10PLA2G5
SCHEMBL4134315 0.85 SIGMAR1 (0.50) CHRM3CHRM5SIGMAR1PLA2G10PLA2G5

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-3541368-B1 IMAGEABLE PARTICLES, METHODS OF MAKING AND METHODS OF USE THEREOF US HEALTH (US) 2023-07-12 EP disclosed
US-11382990-B2 Imageable polymers, methods of making and methods of use thereof THE USA, AS REPRESENTED BY THE SECRETARY, DHHS (US) 2022-07-12 US disclosed
US-20200197540-A1 Imageable Polymers, Methods of Making and Methods of Use Thereof THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2020-06-25 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 (2 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-11382990-B2 Imageable polymers, methods of making and methods of use thereof PUF60, PBRM1, PCBP1 CHRM3 4100/4885CHRM5 4484/4885SIGMAR1 1647/4885
US-20200197540-A1 Imageable Polymers, Methods of Making and Methods of Use Thereof PUF60, PBRM1, PCBP1 CHRM3 4100/4885CHRM5 4484/4885SIGMAR1 1647/4885

“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.