SCHEMBL6537424

SCHEMBL6537424

O=C(O)CN1CCNCCN(CC(=O)O)CCN(CC(=O)O)CC1.[Gd]

nearest known ligand 0.91

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.48
CHRM3 P20309 2/20 0.48
HSD17B10 Q99714 1/20 0.48
SIGMAR1 Q99720 6/20 0.44
SLC6A9 P48067 1/20 0.39
CA2 P00918 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
KDM5C P41229 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
CHKA P35790 1/20 0.35

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
SCHEMBL472213 0.98 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL306395 0.98 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL29299554 0.98 CHRM5 (0.50) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
Hydrochloric Acid SCHEMBL28968883 0.95 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL27229072 0.95 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL29832951 0.95 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1CA2
SCHEMBL10567168 0.95 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL5550813 0.95 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL8038178 0.95 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9
SCHEMBL5239633 0.95 CHRM5 (0.48) CHRM5CHRM3HSD17B10SIGMAR1SLC6A9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040170566-A1 Dual functioning excipient for metal chelate contrast agents BRACCO SUISSE SA (CH) 2004-09-02 US claimed
EP-0454078-B1 Dual functioning excipient for metal chelate contrast agents BRACCO INT BV (NL) 1996-10-02 EP claimed
EP-0454078-A2 Dual functioning excipient for metal chelate contrast agents BRACCO INTERNATIONAL B.V. (NL) 1991-10-30 EP claimed
US-4885363-A RADIOPHARMACEUTICAL IMAGING; MEDICAL DIAGNOSIS E. R. SQUIBB & SONS, INC. (US) 1989-12-05 US claimed
CN-105999308-B Tumor targeting MRI contrast agent and preparation method thereof 华中科技大学同济医学院附属协和医院 2020-08-07 CN disclosed
US-20040005274-A1 Targeting multimeric imaging agents through multilocus binding EPIX MEDICAL, INC., A DELAWARE CORPORATION 2004-01-08 US disclosed
US-6652835-B1 Improved relaxivity properties upon binding EPIX MEDICAL, INC. 2003-11-25 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-20040170566-A1 Dual functioning excipient for metal chelate contrast agents SLC39A11, SLC30A7, SLC39A3 CHRM5 338/4885CHRM3 463/4885HSD17B10 4777/4885
US-20040005274-A1 Targeting multimeric imaging agents through multilocus binding ILK, PBRM1, FABP1 CHRM5 1013/4885CHRM3 526/4885HSD17B10 4758/4885

“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.