SCHEMBL12379861

SCHEMBL12379861

COC(=O)CN1CCN(CC(=O)OC)CCN(CC(=O)OC)CCN(CC(=O)OC)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
HSD17B10 Q99714 1/20 0.42
MGAM O43451 1/20 0.42
GAA P10253 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
KDM4E B2RXH2 3/20 0.39
GLA P06280 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL70778 1.00 TSHR (0.46) TSHRHSD17B10MGAMGAASI
SCHEMBL1133592 1.00
SCHEMBL5161881 0.91 ALDH1A1 (0.47) GAAALDH1A1SMN1; SMN2KDM4ELMNA
SCHEMBL5434193 0.91 HSD17B10 (0.47) TSHRHSD17B10MGAMGAASI
SCHEMBL14470272 0.91 HSD17B10 (0.47) TSHRHSD17B10MGAMGAASI
SCHEMBL13569369 0.91 HSD17B10 (0.47) TSHRHSD17B10MGAMGAASI
SCHEMBL2663549 0.91 SIGMAR1 (0.45) TSHRGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL28738942 0.90
SCHEMBL65441 0.90 ALDH1A1 (0.50) TSHRGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL24016434 0.89 KDM4E (0.50) TSHRHSD17B10MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442949-B1 CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2022-06-08 EP disclosed
WO-2017178301-A1 CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2017-10-19 WO disclosed
US-9777022-B2 Process for the preparation of macrocyclic polyazacarboxylate ligands and chelates GUERBET (FR) 2017-10-03 US disclosed
WO-2017098038-A1 CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2017-06-15 WO disclosed
WO-2017098044-A1 DIMERIC CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2017-06-15 WO disclosed
EP-2920156-B1 PROCESS FOR THE PREPARATION OF MACROCYCLIC POLYAZACARBOXYLATE LIGANDS AND CHELATES GUERBET SA (FR) 2016-12-07 EP disclosed
US-20160185803-A1 PROCESS FOR THE PREPARATION OF MACROCYCLIC POLYAZACARBOXYLATE LIGANDS AND CHELATES MALLINCKRODT LLC 2016-06-30 US disclosed
US-9315474-B2 Process for the preparation of macrocyclic polyazacarboxylate ligands and chelates LIEBEL-FLARSHEIM COMPANY LLC (US) 2016-04-19 US disclosed
US-20150259304-A1 PROCESS FOR THE PREPARATION OF MACROCYCLIC POLYAZACARBOXYLATE LIGANDS AND CHELATES GUERBET (FR) 2015-09-17 US disclosed
US-7989417-B2 Linkers for radiopharmaceutical compounds BRACCO IMAGING S.P.A. (IT) 2011-08-02 US disclosed
US-7922998-B2 bombesin, derivatives and/or analogues capable of complexing metal ions, radionuclides or optical labels, for use in radiotherapy BRACCO IMAGING S.P.A. (IT) 2011-04-12 US disclosed
US-7611692-B2 bombesin, derivatives and/or analogues capable of complexing metal ions, radionuclides or optical labels, for use in radiotherapy BRACCO IMAGING S.P.A. (IT) 2009-11-03 US disclosed
US-7226577-B2 Gastrin releasing peptide compounds BRACCO IMAGING, S. P. A. (IT) 2007-06-05 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-20160185803-A1 PROCESS FOR THE PREPARATION OF MACROCYCLIC POLYAZACARBOXYLATE LIGANDS AND CHELATES SSTR4, SSTR5, MVD TSHR 422/4885HSD17B10 3901/4885MGAM 1521/4885
US-20150259304-A1 PROCESS FOR THE PREPARATION OF MACROCYCLIC POLYAZACARBOXYLATE LIGANDS AND CHELATES SSTR4, SSTR5, MVD TSHR 422/4885HSD17B10 3901/4885MGAM 1521/4885

“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.