SCHEMBL3867732

SCHEMBL3867732

O=C(O)CN1CCNN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.45
SLC6A9 P48067 1/20 0.37
CHRM5 P08912 2/20 0.34
CHRM3 P20309 2/20 0.34
S1PR1 P21453 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SIGMAR1 Q99720 3/20 0.32
TSHR P16473 1/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 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
Succinic Acid SCHEMBL19461055 0.94 HSD17B10 (0.41) HSD17B10SLC6A9CHRM5CHRM3S1PR1
Glutamic Acid SCHEMBL19461385 0.83 GRM8 (0.51) HSD17B10
SCHEMBL472213 0.80 CHRM5 (0.50) HSD17B10SLC6A9CHRM5CHRM3SIGMAR1
SCHEMBL29299554 0.80 CHRM5 (0.50) HSD17B10SLC6A9CHRM5CHRM3SIGMAR1
SCHEMBL306395 0.80 CHRM5 (0.50) HSD17B10SLC6A9CHRM5CHRM3SIGMAR1
Tetraxetan SCHEMBL2635294 0.79 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1ALDH1A1TSHR
SCHEMBL321989 0.79 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1ALDH1A1TSHR
Tetraxetan SCHEMBL18018 0.79 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1ALDH1A1TSHR
SCHEMBL6848102 0.79 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1ALDH1A1TSHR
SCHEMBL173508 0.79 HSD17B10 (0.64) HSD17B10SLC6A9S1PR1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111511728-B Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2023-12-08 CN disclosed
EP-4076541-A1 MODIFIED GRPR ANTAGONIST PEPTIDES FOR IMAGING AND THERAPY OF CANCER Technische Universität München (DE) 2022-10-26 EP disclosed
WO-2021126989-A1 TWO-WAY MAGNETIC RESONANCE TUNING NANOPROBE ENHANCED SUBTRACTION IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-06-24 WO disclosed
WO-2021121734-A1 MODIFIED GRPR ANTAGONIST PEPTIDES FOR IMAGING AND THERAPY OF CANCER Technische Universität München (DE) 2021-06-24 WO disclosed
US-20090104124-A1 Paramagnetic Complexes with Pendant Crown Compounds Showing Improved Targeting- Specificity as MRI Contrast Agents UNIVERSITY HONG KONG, THE (CN) 2009-04-23 US disclosed
US-7504088-B2 Lipophilic derivatives of chelate monoamides KEREOS, INC. (US) 2009-03-17 US disclosed
EP-1768558-A1 LIPOHILIC DERIVATIVES OF CHELATE MONOAMIDES KEREOS, INC. (US) 2007-04-04 EP disclosed
WO-2006029560-A1 PARAMAGNETIC COMPLEXES WITH PENDANT CROWN COMPOUNDS SHOWING IMPROVED TARGETING-SPECIFICITY AS MRI CONTRAST AGENTS THE UNIVERSITY OF HONG KONG (CN) 2006-03-23 WO disclosed
US-20060057071-A1 Paramagnetic complexes with pendant crown compounds showing improved targeting-specificity as MRI contrast agents UNIVERSITY OF HONG KONG, THE (CN) 2006-03-16 US disclosed
US-20060008417-A1 Lipophilic derivatives of chelate monoamides KEREOS, INC. 2006-01-12 US disclosed
WO-2005122891-A1 LIPOPHILIC DERIVATIVES OF CHELATE MONOAMIDES KEREOS, INC. (US) 2005-12-29 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 (3 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-20060057071-A1 Paramagnetic complexes with pendant crown compounds showing improved targeting-specificity as MRI contrast agents ABCB11, ATP6V1B1, SLC5A7 HSD17B10 3784/4885SLC6A9 291/4885CHRM5 3372/4885
US-20060008417-A1 Lipophilic derivatives of chelate monoamides HDAC3, SGMS2, SGMS1 HSD17B10 4678/4885SLC6A9 3236/4885CHRM5 23/4885
US-20090104124-A1 Paramagnetic Complexes with Pendant Crown Compounds Showing Improved Targeting- Specificity as MRI Contrast Agents ABCB11, ATP6V1B1, SLC5A7 HSD17B10 3784/4885SLC6A9 291/4885CHRM5 3372/4885

“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.