SCHEMBL13698376

SCHEMBL13698376

CC(=O)CN1CCN(CC(C)=O)CCN(CC(=O)O)CCN(CC(C)=O)CC1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.52
SLC6A9 P48067 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
S1PR1 P21453 1/20 0.39
PAOX Q6QHF9 1/20 0.36
LMNA P02545 1/20 0.36
SLC15A2 Q16348 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM6B O15054 1/20 0.36
KDM5C P41229 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PHF8 Q9UPP1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
PIK3CD O00329 1/20 0.34
NOS1 P29475 1/20 0.34
GAA P10253 1/20 0.33
STAT6 P42226 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12344753 1.00 HSD17B10 (0.52) HSD17B10SLC6A9NPSR1S1PR1PAOX
SCHEMBL16220530 1.00 HSD17B10 (0.52) HSD17B10SLC6A9NPSR1S1PR1PAOX
SCHEMBL25752709 1.00 HSD17B10 (0.52) HSD17B10SLC6A9NPSR1S1PR1PAOX
SCHEMBL19766443 1.00 HSD17B10 (0.52) HSD17B10SLC6A9NPSR1S1PR1PAOX
SCHEMBL21764407 1.00 HSD17B10 (0.52) HSD17B10SLC6A9NPSR1S1PR1PAOX
SCHEMBL22821448 0.93 HSD17B10 (0.47) HSD17B10SLC6A9NPSR1S1PR1PAOX
SCHEMBL22815172 0.93 HSD17B10 (0.47) HSD17B10SLC6A9NPSR1S1PR1ALDH1A1
SCHEMBL20202579 0.93 HSD17B10 (0.47) HSD17B10SLC6A9NPSR1S1PR1ALDH1A1
SCHEMBL15985745 0.93 HSD17B10 (0.47) HSD17B10SLC6A9NPSR1S1PR1ALDH1A1
SCHEMBL12856593 0.91 PAOX (0.48) HSD17B10PAOXKDM4EALDH1A1

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-20230136073-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORPORATION (JP) 2023-05-04 US disclosed
US-20160199520-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF FUJIFILM CORPORATION (JP) 2016-07-14 US disclosed
US-9315524-B2 Magnetic resonance imaging agents for calcification MISRA, PREETI 2016-04-19 US disclosed
US-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS AXELSSON OSKAR 2009-09-24 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 (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-20230136073-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF SLC39A3, SLC39A14, SLC39A11 HSD17B10 3201/4885SLC6A9 230/4885NPSR1 661/4885
US-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS MAG, MSR1, FABP7 HSD17B10 3174/4885SLC6A9 2643/4885NPSR1 1068/4885
US-20160199520-A1 NOVEL NITROGEN-CONTAINING COMPOUND OR SALT THEREOF, OR METAL COMPLEX THEREOF SLC39A3, SLC39A14, SLC39A11 HSD17B10 3231/4885SLC6A9 229/4885NPSR1 658/4885

“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.