SCHEMBL6230689

SCHEMBL6230689

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.46
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 1/20 0.42
CACNA1H O95180 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL16577152 0.95 SIGMAR1 (0.42) SIGMAR1ALDH1A1TDP1CACNA1HSMN1; SMN2
SCHEMBL29466953 0.92 SIGMAR1 (0.43) SIGMAR1ALDH1A1TDP1CACNA1HSMN1; SMN2
SCHEMBL7130844 0.91 ALDH1A1 (0.53) SIGMAR1ALDH1A1TDP1CACNA1HSMN1; SMN2
SCHEMBL19748750 0.90 SIGMAR1 (0.43) SIGMAR1ALDH1A1TDP1CACNA1HSMN1; SMN2
SCHEMBL14642368 0.87 ALDH1A1 (0.43) SIGMAR1ALDH1A1TDP1CACNA1HSMN1; SMN2
SCHEMBL31165990 0.87 ALDH1A1 (0.43) SIGMAR1ALDH1A1TDP1CACNA1HSMN1; SMN2
SCHEMBL25917727 0.87 SIGMAR1 (0.47) SIGMAR1ALDH1A1TDP1CACNA1HSMN1; SMN2
SCHEMBL8328204 0.87 CACNA1H (0.54) SIGMAR1ALDH1A1TDP1CACNA1HSMN1; SMN2
SCHEMBL12644382 0.86 CHRM2 (0.46) SIGMAR1ALDH1A1TDP1CACNA1HSMN1; SMN2
SCHEMBL8183645 0.84 SIGMAR1 (0.43) SIGMAR1ALDH1A1TDP1CACNA1HSMN1; SMN2

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12576167-B2 Gadolinium-based compound, method for producing same, and MRI contrast agent containing same KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2026-03-17 US disclosed
US-20250263393-A1 FAP INHIBITORS SHANGHAI SINOTAU BIOTECH. CO., LTD (CN) 2025-08-21 US disclosed
EP-4590664-A1 INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN AND USE THEREOF Shanghai Sinotau Biotech. Co., Ltd (CN) 2025-07-30 EP disclosed
WO-2025055942-A1 INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN AND USE THEREOF SHANGHAI SINOTAU BIOTECH. CO., LTD (CN) 2025-03-20 WO disclosed
WO-2025055943-A1 INHIBITORS OF PROSTATE SPECIFIC MEMBRANE ANTIGEN AND USE THEREOF SHANGHAI SINOTAU BIOTECH. CO., LTD (CN) 2025-03-20 WO disclosed
EP-4511367-A1 FAP INHIBITORS Shanghai Sinotau Biotech. Co., Ltd (CN) 2025-02-26 EP disclosed
US-20240335569-A1 FIBROBLAST ACTIVATION PROTEIN INHIBITORS AND USE THEREOF 3 B Pharmaceuticals GmbH (DE) 2024-10-10 US disclosed
US-20230381327-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2023-11-30 US disclosed
US-20230381327-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2023-11-30 US disclosed
WO-2023202655-A1 FAP INHIBITORS SHANGHAI SINOTAU BIOTECH. CO., LTD (CN) 2023-10-26 WO disclosed
US-20140170064-A1 METHODS AND COMPOSITIONS FOR RADIOHALOGEN PROTEIN LABELING GENENTECH, INC. (US) 2014-06-19 US disclosed
US-20140170064-A1 METHODS AND COMPOSITIONS FOR RADIOHALOGEN PROTEIN LABELING GENENTECH, INC. (US) 2014-06-19 US disclosed
EP-2604281-A1 Clicked somatostatin conjugated analogs for biological applications Centre National de la Recherche Scientifique (CNRS) (FR) 2013-06-19 EP disclosed
US-20130034494-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS MOLECULAR INSIGHT PHARMACEUTICALS 2013-02-07 US disclosed
US-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography OCERA THERAPEUTICS LLC (F/K/A OCERA THERAPEUTICS, INC.) 2011-07-21 US disclosed
US-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography OCERA THERAPEUTICS LLC (F/K/A OCERA THERAPEUTICS, INC.) 2011-07-21 US disclosed
WO-2010039609-A2 A VERSION OF FDG DETECTABLE BY SINGLE-PHOTON EMISSION COMPUTED TOMOGRAPHY MALLINCKRODT INC. (US) 2010-04-08 WO disclosed
EP-1259532-B1 BILE ACIDS CONJUGATES WITH METAL ION CHELATES AND THE USE THEREOF BRACCO IMAGING SPA (IT) 2005-05-04 EP disclosed
US-6803030-B2 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING BRACCO IMAGING S.P.A. (IT) 2004-10-12 US disclosed
US-20030113265-A1 Bile acids conjugates with metal ion chelates and the use thereof BRACCO IMAGING S.P.A. (IT) 2003-06-19 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 (8 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-20110177004-A1 Version of FDG Detectable by Single-Photon Emission Computed Tomography SLC2A1, SLC2A4, SLC2A3 SIGMAR1 3174/4885ALDH1A1 959/4885TDP1 3943/4885
US-20130034494-A1 RADIOLABELED PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS KLK3, FOLH1, PSMA1 SIGMAR1 3926/4885ALDH1A1 2469/4885TDP1 3701/4885
US-20140170064-A1 METHODS AND COMPOSITIONS FOR RADIOHALOGEN PROTEIN LABELING S100A6, HIRA, HDGFL3 SIGMAR1 2651/4885ALDH1A1 3591/4885TDP1 2583/4885
US-20240335569-A1 FIBROBLAST ACTIVATION PROTEIN INHIBITORS AND USE THEREOF FIBP, FGF2, FGFR2 SIGMAR1 4356/4885ALDH1A1 2864/4885TDP1 4233/4885
US-12576167-B2 Gadolinium-based compound, method for producing same, and MRI contrast agent containing same LGALS1, CLIC1, LGALS2 SIGMAR1 2064/4885ALDH1A1 2510/4885TDP1 2991/4885
US-20030113265-A1 Bile acids conjugates with metal ion chelates and the use thereof SLC10A2, SLC10A1, NR1H4 SIGMAR1 1021/4885ALDH1A1 4431/4885TDP1 4559/4885
US-20230381327-A1 REACTIVE CONJUGATES FCGR3B, FCGR1A, FCGR2A SIGMAR1 4874/4885ALDH1A1 638/4885TDP1 4192/4885
US-20250263393-A1 FAP INHIBITORS FAP, APC, FIBP SIGMAR1 4872/4885ALDH1A1 1214/4885TDP1 1522/4885

“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.