SCHEMBL10033374

SCHEMBL10033374

CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)Cc2cccc(n2)CN(C(CCC(=O)O)C(=O)OC(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
P2RY12 Q9H244 8/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
SCN9A Q15858 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL10033378 0.89 TMEM97 (0.37) KMT2AP2RY12MEN1
SCHEMBL14546793 0.83 BACE1 (0.39) KMT2AP2RY12SMN1; SMN2MEN1LMNA
SCHEMBL16607400 0.82 PLA2G10 (0.32) KMT2AMAPTCHRM2CHRM4CHRM1
SCHEMBL12202950 0.82 PLA2G10 (0.32) KMT2AMAPTCHRM2CHRM4CHRM1
SCHEMBL17715543 0.82 PLA2G10 (0.32) KMT2AMAPTCHRM2CHRM4CHRM1
SCHEMBL9893196 0.82 PLA2G10 (0.32) KMT2AMAPTCHRM2CHRM4CHRM1
SCHEMBL31519418 0.82 PLA2G10 (0.32) KMT2AMAPTCHRM2CHRM4CHRM1
SCHEMBL12156574 0.82 PLA2G10 (0.32) KMT2AMAPTCHRM2CHRM4CHRM1
SCHEMBL18752962 0.82 KMT2A (0.33) KMT2AP2RY12SMN1; SMN2MAPTSCN9A
SCHEMBL14342342 0.81 HSD17B10 (0.35) KMT2AP2RY12OPRM1OPRL1MEN1

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
EP-1940841-B9 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET SA (FR) 2017-04-19 EP disclosed
EP-2396040-B1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET SA (FR) 2017-04-05 EP disclosed
EP-1940841-B1 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET SA (FR) 2016-12-07 EP disclosed
US-8926945-B2 Compounds comprising a biological target recognizing part, coupled to a signal part capable of complexing gallium GUERBET (FR) 2015-01-06 US disclosed
US-8926945-B2 Compounds comprising a biological target recognizing part, coupled to a signal part capable of complexing gallium GUERBET (FR) 2015-01-06 US disclosed
US-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2012-01-12 US disclosed
US-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION GUERBET (FR) 2012-01-12 US disclosed
US-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium GUEREBET (FR) 2011-04-21 US disclosed
US-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium GUEREBET (FR) 2011-04-21 US disclosed
WO-2007042504-A2 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET (FR) 2007-04-19 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 (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-20110092806-A1 Compounds Comprising a Biological Target Recognizing Part, Coupled to a Signal Part Capable of Complexing Gallium KLK3, IGF1R, GIPR KMT2A 4421/4885P2RY12 4475/4885SMN1; SMN2 4882/4885
US-20120009124-A1 USE OF BUFFERS FOR RADIONUCLIDE COMPLEXATION CA5B, CA3, CA1 KMT2A 4751/4885P2RY12 4068/4885SMN1; SMN2 4019/4885

“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.