SCHEMBL6742645

SCHEMBL6742645

CC1CN(C(=O)O)CCN(C(=O)O)CC[N]CCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 2/20 0.32
SLC6A7 Q99884 1/20 0.32
GFER P55789 1/20 0.31
GAA P10253 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
SCHEMBL7995036 0.86 TSHR (0.41) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL4150920 0.86 TSHR (0.41) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL17061936 0.84 TSHR (0.41) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL17061934 0.84 TSHR (0.41) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL21354258 0.84 TSHR (0.41) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL25215811 0.77 GAA (0.38) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL2060839 0.77 CHRNB2 (0.38) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL4052556 0.75
Acetic Acid SCHEMBL455505 0.74 CHRNB2 (0.36) TSHRLMNAALOX15HSD17B10L3MBTL1
SCHEMBL18152255 0.73 CYP1A2 (0.40) TSHRLMNAALOX15HSD17B10L3MBTL1

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
US-20040131551-A1 Enhanced relaxivity monomeric and multimeric compounds BRISTOL-MYERS SQUIBB COMPANY 2004-07-08 US disclosed
US-6693190-B1 TETRAAZACYCLODODECANE MACROCYCLE DERIVATIVES INCLUDING METAL COMPLEXES; MAGNETIC RESONANCE IMAGING AGENTS BRACCO INTERNATIONAL B.V. (NL) 2004-02-17 US disclosed
EP-0708761-B1 ENHANCED RELAXIVITY MONOMERIC AND MULTIMERIC COMPOUNDS BRACCO INT BV (NL) 2002-08-14 EP disclosed
WO-1995031444-A1 ENHANCED RELAXIVITY MONOMERIC AND MULTIMERIC COMPOUNDS BRACCO INTERNATIONAL B.V. (NL) 1995-11-23 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-20040131551-A1 Enhanced relaxivity monomeric and multimeric compounds H1-2, H1-0, H1-3 TSHR 1230/4885LMNA 3012/4885ALOX15 4107/4885

“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.