SCHEMBL16800528

SCHEMBL16800528

CC(=O)CN1CCCN2CCN(CCCN(CC(=O)O)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
GAA P10253 1/20 0.34
SIGMAR1 Q99720 3/20 0.34
SLC6A9 P48067 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
S1PR1 P21453 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL22821448 0.92 HSD17B10 (0.47) HSD17B10ALDH1A1HTTSLC6A9S1PR1
SCHEMBL20202579 0.92 HSD17B10 (0.47) HSD17B10ALDH1A1HTTGAASIGMAR1
SCHEMBL15985745 0.92 HSD17B10 (0.47) HSD17B10ALDH1A1HTTGAASIGMAR1
SCHEMBL22815172 0.92 HSD17B10 (0.47) HSD17B10ALDH1A1HTTGAASIGMAR1
SCHEMBL22661894 0.90 HSD17B10 (0.48) HSD17B10ALDH1A1HTTGAASIGMAR1
SCHEMBL12018111 0.90 HSD17B10 (0.48) HSD17B10ALDH1A1HTTGAASIGMAR1
SCHEMBL10317239 0.90 HSD17B10 (0.48) HSD17B10ALDH1A1HTTGAASIGMAR1
SCHEMBL9119001 0.90 HSD17B10 (0.48) HSD17B10ALDH1A1HTTGAASIGMAR1
SCHEMBL1142728 0.90 HSD17B10 (0.48) HSD17B10ALDH1A1HTTGAASIGMAR1
SCHEMBL27255807 0.90 HSD17B10 (0.48) HSD17B10ALDH1A1HTTGAASIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF RADIONETICS ONCOLOGY, INC. 2024-07-11 US disclosed
US-20240207292-A1 BORONIC ACID COMPOUNDS, COMPOSITIONS AND METHODS TRUSTEES OF TUFTS COLLEGE 2024-06-27 US disclosed
WO-2024056805-A1 NEW PET TRACER FOR IMAGING OF THE FUNCTIONAL HEPATIC RESERVE MEDIZINISCHE UNIVERSITÄT INNSBRUCK (AT) 2024-03-21 WO disclosed
WO-2023215333-A1 RADIOPHARMACEUTICAL AND METHODS Point Biopharma, Inc. (US) 2023-11-09 WO disclosed
US-20230330275-A1 FAP-TARGETED RADIOPHARMACEUTICALS AND IMAGING AGENTS, AND USES RELATED THERETO TRUSTEES OF TUFTS COLLEGE 2023-10-19 US disclosed
US-11707539-B2 FAP-targeted radiopharmaceuticals and imaging agents, and uses related thereto TRUSTEES OF TUFTS COLLEGE (US) 2023-07-25 US disclosed
WO-2020256546-A1 COMPOUNDS FOR FAST AND EFFICIENT CLICK RELEASE TAGWORKS PHARMACEUTICALS B.V. (NL) 2020-12-24 WO disclosed
US-20170050989-A1 Molecular Imaging Probes NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2017-02-23 US disclosed
US-20170050989-A1 Molecular Imaging Probes NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2017-02-23 US disclosed
WO-2015085005-A1 MOLECULAR IMAGING PROBES THE GENERAL HOSPITAL CORPORATION (US) 2015-06-11 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 (5 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-20170050989-A1 Molecular Imaging Probes SLC10A1, CFTR, FIBP HSD17B10 803/4885ALDH1A1 66/4885HTT 4143/4885
US-20230330275-A1 FAP-TARGETED RADIOPHARMACEUTICALS AND IMAGING AGENTS, AND USES RELATED THERETO FAP, APC, FIBP HSD17B10 3607/4885ALDH1A1 1322/4885HTT 2824/4885
US-11707539-B2 FAP-targeted radiopharmaceuticals and imaging agents, and uses related thereto FAP, APC, FIBP HSD17B10 3607/4885ALDH1A1 1322/4885HTT 2824/4885
US-20240207292-A1 BORONIC ACID COMPOUNDS, COMPOSITIONS AND METHODS BCL6B, BCL6, BTD HSD17B10 2957/4885ALDH1A1 3873/4885HTT 627/4885
US-20240226343-A1 NEUROPEPTIDE Y1 RECEPTOR (NPY1R) TARGETED THERAPEUTICS AND USES THEREOF NPY1R, NPY2R, NPY4R HSD17B10 3848/4885ALDH1A1 3906/4885HTT 1975/4885

“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.