SCHEMBL22403178

SCHEMBL22403178

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.40
▸ CHRM3 P20309 3/20 0.39
▸ CHRM5 P08912 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ PLA2G10 O15496 1/20 0.35
▸ PLA2G5 P39877 1/20 0.35
▸ PADI1 Q9ULC6 1/20 0.33
▸ PADI4 Q9UM07 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CHRM2 P08172 1/20 0.30
▸ CHRM4 P08173 1/20 0.30
▸ CHRM1 P11229 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
SCHEMBL19274145 1.00 SIGMAR1 (0.40) SIGMAR1CHRM3CHRM5SMN1; SMN2PLA2G10
SCHEMBL19422330 1.00 SIGMAR1 (0.40) SIGMAR1CHRM3CHRM5SMN1; SMN2PLA2G10
SCHEMBL21917398 0.95 SIGMAR1 (0.36) SIGMAR1CHRM3CHRM5SMN1; SMN2PLA2G10
SCHEMBL751886 0.88 CHRM3 (0.41) SIGMAR1CHRM3CHRM5SMN1; SMN2PLA2G10
SCHEMBL1149470 0.87 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5SMN1; SMN2PLA2G10
SCHEMBL583320 0.87 SIGMAR1 (0.49) SIGMAR1CHRM3CHRM5SMN1; SMN2PLA2G10
SCHEMBL18752979 0.86 PLA2G10 (0.34) CHRM3PLA2G10PLA2G5KDM4EALDH1A1
SCHEMBL4771744 0.85 SIGMAR1 (0.47) SIGMAR1CHRM3CHRM5SMN1; SMN2PLA2G10
Hydrochloric Acid SCHEMBL8209880 0.85 SIGMAR1 (0.47) SIGMAR1CHRM3CHRM5SMN1; SMN2PLA2G10
Bromide SCHEMBL583318 0.85 SIGMAR1 (0.47) SIGMAR1CHRM3CHRM5SMN1; SMN2PLA2G10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975060-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-04-13 — — US disclosed
US-20200283420-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-09-10 — — 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-20200283420-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING RXFP1, RXFP2, RXFP3 SIGMAR1 2756/4885CHRM3 163/4885CHRM5 309/4885
US-10975060-B2 High relaxivity gadolinium chelate compounds for use in magnetic resonance imaging RXFP1, RXFP2, RXFP3 SIGMAR1 2756/4885CHRM3 163/4885CHRM5 309/4885

“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.

Send feedback