SCHEMBL20179968

SCHEMBL20179968

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.50
CHRM3 P20309 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.41
SIGMAR1 Q99720 5/20 0.40
RAB9A P51151 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 1/20 0.35
PADI1 Q9ULC6 1/20 0.35
PADI4 Q9UM07 1/20 0.35
TSHR P16473 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
NFKB1 P19838 1/20 0.34
PTGS1 P23219 1/20 0.34
APEX1 P27695 1/20 0.34
THPO P40225 1/20 0.34
PMP22 Q01453 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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 1.00 CHRM5 (0.50) CHRM5CHRM3SMN1; SMN2SIGMAR1RAB9A
SCHEMBL21946897 0.98 CHRM5 (0.51) CHRM5CHRM3SMN1; SMN2SIGMAR1RAB9A
SCHEMBL22147374 0.90 CHRM3 (0.42) CHRM5CHRM3SMN1; SMN2SIGMAR1RAB9A
SCHEMBL19450983 0.82 CHRM5 (0.41) CHRM5CHRM3SMN1; SMN2RAB9AMEN1
SCHEMBL8484657 0.81 SIGMAR1 (0.47) CHRM5CHRM3SIGMAR1ALDH1A1TSHR
SCHEMBL2722240 0.81 CHRM5 (0.41) CHRM5CHRM3SMN1; SMN2SIGMAR1MEN1
Ethyl Piperazinoacetate SCHEMBL5699 0.79 SIGMAR1 (0.49) CHRM5CHRM3SIGMAR1MEN1KMT2A
SCHEMBL18942447 0.78 KDM4E (0.47) SMN1; SMN2RAB9AMEN1KMT2AALDH1A1
Ethyl Piperazinoacetate SCHEMBL17271810 0.77 SIGMAR1 (0.47) CHRM5CHRM3SMN1; SMN2SIGMAR1ALDH1A1
SCHEMBL8911402 0.77 SIGMAR1 (0.47) CHRM5CHRM3SIGMAR1MEN1KMT2A

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
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
WO-2018093566-A1 IMAGEABLE PARTICLES, METHODS OF MAKING AND METHODS OF USE THEREOF THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2018-05-24 WO 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 CHRM5 4484/4885CHRM3 4100/4885SMN1; SMN2 3965/4885
US-20200197540-A1 Imageable Polymers, Methods of Making and Methods of Use Thereof PUF60, PBRM1, PCBP1 CHRM5 4484/4885CHRM3 4100/4885SMN1; SMN2 3965/4885

“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.