SCHEMBL29299643

SCHEMBL29299643

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
SLC6A9 P48067 1/20 0.37
PIK3CD O00329 1/20 0.35
S1PR1 P21453 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TACR1 P25103 2/20 0.31
NPC1 O15118 1/20 0.30
PAOX Q6QHF9 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
SCHEMBL29299640 1.00 HSD17B10 (0.41) HSD17B10SLC6A9PIK3CDS1PR1SIGMAR1
SCHEMBL29299636 0.95 SIGMAR1 (0.38) HSD17B10SLC6A9PIK3CDS1PR1SIGMAR1
SCHEMBL21764427 0.92 HSD17B10 (0.47) HSD17B10SLC6A9PIK3CDS1PR1SIGMAR1
SCHEMBL10284339 0.92 HSD17B10 (0.47) HSD17B10SLC6A9PIK3CDS1PR1SIGMAR1
SCHEMBL20202265 0.92 HSD17B10 (0.47) HSD17B10SLC6A9PIK3CDS1PR1SIGMAR1
SCHEMBL24220956 0.92 HSD17B10 (0.47) HSD17B10SLC6A9PIK3CDS1PR1SIGMAR1
SCHEMBL29299565 0.91 HSD17B10 (0.59) HSD17B10ALDH1A1
SCHEMBL18623939 0.87 HSD17B10 (0.42) HSD17B10SLC6A9S1PR1SIGMAR1CHRM5
SCHEMBL21454476 0.87 HSD17B10 (0.42) HSD17B10SLC6A9S1PR1SIGMAR1CHRM5
SCHEMBL21764407 0.86 HSD17B10 (0.52) HSD17B10SLC6A9PIK3CDS1PR1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2024-07-18 US disclosed
US-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. 2024-07-11 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-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF FAP, FIBP, FGFR1 HSD17B10 3923/4885SLC6A9 4711/4885PIK3CD 3476/4885
US-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF NPY1R, NPY2R, NPY4R HSD17B10 3848/4885SLC6A9 2603/4885PIK3CD 4780/4885

“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.