SCHEMBL5554701

SCHEMBL5554701

O=C(O)CN1CCN(CC(=O)O)CCN2CCN(CC1)C2=O

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.48
S1PR1 P21453 1/20 0.44
SLC6A9 P48067 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ITGB3 P05106 2/20 0.37
ITGA2B P08514 2/20 0.37
PDE4B Q07343 1/20 0.37
TSHR P16473 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL13210852 0.90 HSD17B10 (0.41) HSD17B10S1PR1SLC6A9ALDH1A1MAPT
SCHEMBL2910415 0.87 CHRM5 (0.40) HSD17B10S1PR1SLC6A9ALDH1A1MAPT
SCHEMBL2909901 0.87 HSD17B10 (0.39) HSD17B10S1PR1SLC6A9ALDH1A1MAPT
Tetraxetan SCHEMBL4293643 0.85 HSD17B10 (0.61) HSD17B10S1PR1SLC6A9ALDH1A1MAPT
SCHEMBL321989 0.83 HSD17B10 (0.64) HSD17B10S1PR1SLC6A9ALDH1A1MAPT
Tetraxetan SCHEMBL18018 0.83 HSD17B10 (0.64) HSD17B10S1PR1SLC6A9ALDH1A1MAPT
Tetraxetan SCHEMBL2635294 0.83 HSD17B10 (0.64) HSD17B10S1PR1SLC6A9ALDH1A1MAPT
SCHEMBL6848102 0.83 HSD17B10 (0.64) HSD17B10S1PR1SLC6A9ALDH1A1MAPT
SCHEMBL173508 0.83 HSD17B10 (0.64) HSD17B10S1PR1SLC6A9ALDH1A1MAPT
Tetraxetan SCHEMBL2017956 0.83 HSD17B10 (0.64) HSD17B10S1PR1SLC6A9ALDH1A1MAPT

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
EP-1045838-B1 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID BRACCO IMAGING SPA (IT) 2007-02-28 EP claimed
EP-1047677-B1 Process for the preparation of derivatives of 1,4,7,10-tetraazacyclododecane-1,4-diacetic acid BRACCO SPA (IT) 2005-07-20 EP claimed
US-6417354-B1 ALKYLATION USING HALOACETIC ACID; BASIC HYDROLYSIS UNDER HIGH PRESSURE; DECYCLIZATION, RING EXPANSION, SALT FORMATION, QUATERNIZATION DIBRA S.P.A. (IT) 2002-07-09 US claimed
US-6342597-B1 CONDENSATION REACTION TRIETHYLENETETRAMINE WITH GLYOXAL TO CYCLIZE; OXIDATION, ALKYLATION, HYDROLYSIS, QUATERNIZATION; NUCLEAR MAGNETIC RESONANCE IMAGING DIBRA S.P.A. (IT) 2002-01-29 US claimed
EP-1045838-A1 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID BRACCO S.p.A. (IT) 2000-10-25 EP claimed
WO-1999035134-A1 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID BRACCO S.P.A. (IT) 1999-07-15 WO claimed
US-20210380542-A1 NOVEL PROCESS FOR THE PREPARATION OF MACROCYCLIC CHELANT 2,2',2''-(10-(2-HYDROXYPROPYL)-1,4,7,10-TETRA AZACYCLODODECANE-1,4,7-TRIYL) TRIACETIC ACID AND IT'S COMPLEXES WITH PARAMAGNETIC METAL IONS BIOPHORE INDIA PHARMACEUTICALS PVT. LTD. (IN) 2021-12-09 US disclosed
EP-1045838-B1 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID BRACCO IMAGING SPA (IT) 2007-02-28 EP disclosed
EP-1045838-B1 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID BRACCO IMAGING SPA (IT) 2007-02-28 EP disclosed
EP-1602649-A2 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID DERIVATIVES AS CHELATING AGENTS BRACCO S.p.A. (IT) 2005-12-07 EP disclosed
EP-1047677-B1 Process for the preparation of derivatives of 1,4,7,10-tetraazacyclododecane-1,4-diacetic acid BRACCO SPA (IT) 2005-07-20 EP disclosed
US-6417354-B1 ALKYLATION USING HALOACETIC ACID; BASIC HYDROLYSIS UNDER HIGH PRESSURE; DECYCLIZATION, RING EXPANSION, SALT FORMATION, QUATERNIZATION DIBRA S.P.A. (IT) 2002-07-09 US disclosed
US-6342597-B1 CONDENSATION REACTION TRIETHYLENETETRAMINE WITH GLYOXAL TO CYCLIZE; OXIDATION, ALKYLATION, HYDROLYSIS, QUATERNIZATION; NUCLEAR MAGNETIC RESONANCE IMAGING DIBRA S.P.A. (IT) 2002-01-29 US disclosed
EP-1045838-A1 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID BRACCO S.p.A. (IT) 2000-10-25 EP disclosed
WO-1999035134-A1 1,4,7,10-TETRAAZACYCLODODECANE-1,4-DIACETIC ACID BRACCO S.P.A. (IT) 1999-07-15 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 (1 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-20210380542-A1 NOVEL PROCESS FOR THE PREPARATION OF MACROCYCLIC CHELANT 2,2',2''-(10-(2-HYDROXYPROPYL)-1,4,7,10-TETRA AZACYCLODODECANE-1,4,7-TRIYL) TRIACETIC ACID AND IT'S COMPLEXES WITH PARAMAGNETIC METAL IONS TMCO1, ITPR1, ITPR2 HSD17B10 1825/4885S1PR1 779/4885SLC6A9 488/4885

“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.