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SCHEMBL1144236

SCHEMBL1144236

CC(C(=O)O)N1C[C@H](C)N([C@H](C)C(=O)O)C[C@H](C)N([C@H](C)C(=O)O)C[C@H](C)N([C@H](C)C(=O)O)C[C@@H]1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CYP1A2 P05177 1/20 0.34
▸ TP53 P04637 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CSNK2A2 P19784 1/20 0.31
▸ CSNK2B P67870 1/20 0.31
▸ CSNK2A1 P68400 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 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
SCHEMBL28713642 1.00 SLC6A9 (0.46) SLC6A9SMN1; SMN2CYP1A2TP53MEN1
SCHEMBL1144230 1.00 SLC6A9 (0.46) SLC6A9SMN1; SMN2CYP1A2TP53MEN1
SCHEMBL3940485 0.98 — —
Hydrochloric Acid SCHEMBL8401126 0.95 SLC6A9 (0.46) SLC6A9SMN1; SMN2CYP1A2TP53MEN1
SCHEMBL14514528 0.85 SLC6A9 (0.58) SLC6A9SMN1; SMN2
1,6-Hexanediol SCHEMBL2214301 0.84 SLC6A9 (0.40) SLC6A9SMN1; SMN2CYP1A2
SCHEMBL14561807 0.84 SLC6A9 (0.41) SLC6A9
SCHEMBL16315840 0.81 SLC6A9 (0.45) SLC6A9KDM4E
SCHEMBL20399220 0.80 SLC6A9 (0.50) SLC6A9SMN1; SMN2KDM4E
SCHEMBL21831013 0.79 TSHR (0.42) SLC6A9SMN1; SMN2MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11110185-B2 Combination formulation GE HEALTHCARE AS (NO) 2021-09-07 — — US claimed
US-20180303960-A1 Combination Formulation GE HEALTHCARE AS (NO) 2018-10-25 — — US claimed
US-20250127938-A1 THERAGNOSTIC FOLATE CONJUGATES MERCK PATENT GMBH (DE) 2025-04-24 — — US disclosed
US-20250108138-A1 THERAGNOSTIC FOLATE CONJUGATES MERCK PATENT GMBH (DE) 2025-04-03 — — US disclosed
WO-2023148116-A1 THERAGNOSTIC FOLATE CONJUGATES MERCK PATENT GMBH (DE) 2023-08-10 — — WO disclosed
WO-2023148115-A1 THERAGNOSTIC FOLATE CONJUGATES MERCK PATENT GMBH (DE) 2023-08-10 — — WO disclosed
CN-108289970-B Formulations comprising a combination of MRI contrast agents 通用电气医疗集团股份有限公司 2022-04-08 — — CN disclosed
US-11110185-B2 Combination formulation GE HEALTHCARE AS (NO) 2021-09-07 — — US disclosed
US-20180303960-A1 Combination Formulation GE HEALTHCARE AS (NO) 2018-10-25 — — US disclosed
US-9295739-B2 Folate conjugates of albumin-binding entities Merck & Cie (CH) 2016-03-29 — — US disclosed
US-20140234216-A1 FOLATE CONJUGATES OF ALBUMIN-BINDING ENTITIES Merck & Cie (CH) 2014-08-21 — — US disclosed
US-20110038805-A1 COMPOUNDS COMPRISING PARAMAGNETIC CHELATES ARRANGED AROUND A CENTRAL CORE AND THEIR USE IN MAGNETO RESONANCE IMAGING AND SPECTROSCOPY GE HEALTHCARE AS (NO) 2011-02-17 — — US disclosed
US-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS AXELSSON OSKAR 2009-09-24 — — US disclosed
US-20090110640-A1 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING AND SPECTROSCOPY CONSISTING OF A CYCLIC OLIGOAMID CORE OF 3 TO 4 IDENTICIAL MONOMER UNITS WITH 3 TO 4 PARAMAGNETIC CHELATE SIDE CHAINS AXELSSON OSKAR 2009-04-30 — — US disclosed
US-20090004119-A1 Polymers GE HEALTHCARE AS (NO) 2009-01-01 — — 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 (9 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-20250108138-A1 THERAGNOSTIC FOLATE CONJUGATES FOLR1, MTHFD1, MTHFD2 SLC6A9 1460/4885SMN1; SMN2 3754/4885CYP1A2 3490/4885
US-11110185-B2 Combination formulation SLC10A1, SLC10A2, RXFP2 SLC6A9 1126/4885SMN1; SMN2 422/4885CYP1A2 51/4885
US-20140234216-A1 FOLATE CONJUGATES OF ALBUMIN-BINDING ENTITIES ALB, FOLR1, FOLR2 SLC6A9 2295/4885SMN1; SMN2 4040/4885CYP1A2 3619/4885
US-20090238768-A1 MULTIMERIC MAGNETIC RESONANCE CONTRAST AGENTS MAG, MSR1, FABP7 SLC6A9 2643/4885SMN1; SMN2 36/4885CYP1A2 3097/4885
US-20250127938-A1 THERAGNOSTIC FOLATE CONJUGATES FOLR1, FOLR2, DHFR SLC6A9 1595/4885SMN1; SMN2 4048/4885CYP1A2 3938/4885
US-20090004119-A1 Polymers MATR3, MPI, CD68 SLC6A9 1757/4885SMN1; SMN2 67/4885CYP1A2 4725/4885
US-20090110640-A1 CONTRAST AGENTS FOR MAGNETIC RESONANCE IMAGING AND SPECTROSCOPY CONSISTING OF A CYCLIC OLIGOAMID CORE OF 3 TO 4 IDENTICIAL MONOMER UNITS WITH 3 TO 4 PARAMAGNETIC CHELATE SIDE CHAINS MLX, PAM, LPXN SLC6A9 1073/4885SMN1; SMN2 480/4885CYP1A2 4753/4885
US-20180303960-A1 Combination Formulation SLC10A1, SLC10A2, RXFP2 SLC6A9 1126/4885SMN1; SMN2 422/4885CYP1A2 51/4885
US-20110038805-A1 COMPOUNDS COMPRISING PARAMAGNETIC CHELATES ARRANGED AROUND A CENTRAL CORE AND THEIR USE IN MAGNETO RESONANCE IMAGING AND SPECTROSCOPY ABCB7, TSPO, MAG SLC6A9 1561/4885SMN1; SMN2 729/4885CYP1A2 3916/4885

“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.