SCHEMBL22014102

SCHEMBL22014102

C[C@H](O)CN1CCNCCN(C[C@H](C)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
CHRM5 P08912 1/20 0.44
CHRM3 P20309 1/20 0.44
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
RAD52 P43351 1/20 0.40
IDO1 P14902 1/20 0.39
BRD4 O60885 1/20 0.38
BAX Q07812 1/20 0.37
DRD4 P21917 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
PIK3CD O00329 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL20565492 1.00 SMN1; SMN2 (0.55) SMN1; SMN2CHRM5CHRM3DRD2DRD3
SCHEMBL154268 0.98 SMN1; SMN2 (0.56) SMN1; SMN2CHRM5CHRM3DRD2DRD3
SCHEMBL10667505 0.98 SMN1; SMN2 (0.56) SMN1; SMN2CHRM5CHRM3DRD2DRD3
SCHEMBL13833167 0.98 SMN1; SMN2 (0.56) SMN1; SMN2CHRM5CHRM3DRD2DRD3
SCHEMBL1393824 0.98 SMN1; SMN2 (0.56) SMN1; SMN2CHRM5CHRM3DRD2DRD3
SCHEMBL1974799 0.98 SMN1; SMN2 (0.56) SMN1; SMN2CHRM5CHRM3DRD2DRD3
Hydrochloric Acid SCHEMBL1394967 0.95 SMN1; SMN2 (0.59) SMN1; SMN2CHRM5CHRM3DRD2DRD3
Piperazine SCHEMBL28217692 0.95 SMN1; SMN2 (0.55) SMN1; SMN2CHRM5CHRM3DRD2DRD3
Hydrochloric Acid SCHEMBL1394962 0.95 SMN1; SMN2 (0.59) SMN1; SMN2CHRM5CHRM3DRD2DRD3
SCHEMBL3422751 0.95 SMN1; SMN2 (0.55) SMN1; SMN2CHRM5CHRM3DRD2DRD3

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
WO-2022204065-A1 IRON(III) MACROCYCLIC COMPLEXES WITH MIXED HYROXYL PENDANTS AS MRI CONTRAST AGENTS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-09-29 WO disclosed
US-11344635-B2 Compounds for use as iron (III) MRI contrast agents containing anionic pendents and ancillary groups THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-05-31 US disclosed
WO-2020102820-A1 COMPOUNDS FOR USE AS IRON (III) MRI CONTRAST AGENTS CONTAINING ANIONIC PENDENTS AND ANCILLARY GROUPS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-05-22 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 (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-11344635-B2 Compounds for use as iron (III) MRI contrast agents containing anionic pendents and ancillary groups SLC40A1, TAC3, ABCB7 SMN1; SMN2 3358/4885CHRM5 2008/4885CHRM3 1862/4885

“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.