SCHEMBL5555248

SCHEMBL5555248

CC(C)(C)OC(=O)CN1CCN(CC(=O)OC(C)(C)C)Cc2cc(N)cc(n2)CN(CC(=O)OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNT1 P04628 1/20 0.37
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
NR1H2 P55055 1/20 0.36
CDK9 P50750 3/20 0.36
KMT2A Q03164 3/20 0.35
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34
CCNT1 O60563 1/20 0.34
SCN9A Q15858 2/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
PLA2G10 O15496 1/20 0.32
PLA2G5 P39877 1/20 0.32

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
SCHEMBL12629021 0.94 ALDH1A1 (0.39) WNT1GSK3BDYRK1ANR1H2CDK9
SCHEMBL5556103 0.87 ALDH1A1 (0.38) WNT1GSK3BDYRK1ACDK9KMT2A
SCHEMBL9210619 0.84 GABRA1 (0.36) WNT1GSK3BDYRK1ACDK9KMT2A
SCHEMBL9216887 0.81 WNT1 (0.40) WNT1GSK3BDYRK1ACDK9KMT2A
SCHEMBL5551311 0.79 SLC6A9 (0.37) SCN9A
SCHEMBL18915176 0.79 MAOA (0.35) WNT1GSK3BDYRK1ACDK9KMT2A
SCHEMBL12629144 0.78 KMT2A (0.47) WNT1GSK3BDYRK1AKMT2AKDM4E
SCHEMBL38655181 0.77 EGFR (0.37) KMT2AALDH1A1MEN1MAPT
SCHEMBL18915038 0.77 CDK9 (0.37) CDK9KDM4EALDH1A1CCNT1
SCHEMBL12544752 0.76 ALDH1A1 (0.38) NR1H2KDM4EALDH1A1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7208139-B2 Conducting nuclear spin tomography on a patient who has been administered a cascade polymer complex having complex-forming ligands for imaging of inflammation and/or tumors in the brain SCHERING AG (DE) 2007-04-24 US disclosed
US-20050118105-A1 Conducting nuclear spin tomography on a patient who has been administered a cascade polymer complex having complex-forming ligands for imaging of inflammation and/or tumors in the brain BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-06-02 US disclosed
US-6855309-B2 For use in diagnostics and therapy SCHERING, AG (DE) 2005-02-15 US disclosed
US-20030232017-A1 For use in diagnostics and therapy BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2003-12-18 US disclosed
US-6576222-B2 Complex stability and specificity; NMR contrast media as diagnostic aid for localization of vascular disease SCHERING AKTIENGESELLSCHAFT (DE) 2003-06-10 US disclosed
US-20020068037-A1 Complex stability and specificity; NMR contrast media as diagnostic aid for localization of vascular disease SCHERING AG (DE) 2002-06-06 US disclosed
US-6299859-B1 ADMINISTERING CONTRAST AGENT COMPRISING CASCADE POLYMER COMPLEX AND NUCLEAR MAGNETIC RESONANCE IMAGING TISSUES FOR DIFFERENTIATING ISCHEMIC AND/OR INFRACTED TISSUE FROM NORMAL TISSUES SCHERING AKTIENGESELLSCHAFT (DE) 2001-10-09 US disclosed
US-6193950-B1 FOR DIAGNOSIS AND THERAPY SCHERING AG (DE) 2001-02-27 US disclosed
US-6183724-B1 ADMINISTERING A CONTRAST AGENT FOR NMR IMAGING THE BLOOD VESSELS, SIZE LARGE ENOUGH FOR ITS RETENTION IN THE BLOOD VESSELS AND SMALL ENOUGH FOR ITS EXCRETION SCHERING AKTIENGESELLSCHAFT (DE) 2001-02-06 US disclosed
US-6054117-A NUCLEAR MAGNETIC RESONANCE CONTRAST MEDIA FOR DIAGNOSTICS AND THERAPY; PHYSIOLOGICALLY ACCEPTABLE EXCRETION SCHERING AKTIENGESELLSCHAFT (DE) 2000-04-25 US disclosed
US-5650136-A Cascade polymer bound complexing compounds, their complexes and conjugates, processes for their production, and pharmaceutical agents containing them SCHERING AKTIENGESELLSCHAFT (DE) 1997-07-22 US disclosed
EP-0352218-B1 Macrocyclic polyaza compounds containing rings with 5 or 6 members, methods for their preparation and pharmaceutical compositions containing same SCHERING AG (DE) 1995-02-22 EP disclosed
US-5364614-A Cascade polymer bound chelating compounds, their chelates and conjugates, processes for their production, and pharmaceutical agents containing them SCHERING AKTIENGESELLSCHAFT (DE) 1994-11-15 US disclosed
EP-0430863-A2 Complexe builders bonded to sterwise prepared polymers, their complexes and conjugates, process for their preparation and pharmaceutical agents containing the same SCHERING AKTIENGESELLSCHAFT (DE) 1991-06-05 EP 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 (3 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-20020068037-A1 Complex stability and specificity; NMR contrast media as diagnostic aid for localization of vascular disease CAD, APOB, SLC7A1 WNT1 4156/4885GSK3B 4355/4885DYRK1A 1856/4885
US-20030232017-A1 For use in diagnostics and therapy TFPI, BCAT2, OAT WNT1 3828/4885GSK3B 3779/4885DYRK1A 4510/4885
US-20050118105-A1 Conducting nuclear spin tomography on a patient who has been administered a cascade polymer complex having complex-forming ligands for imaging of inflammation and/or tumors in the brain FABP7, SLC1A3, SLC43A1 WNT1 3927/4885GSK3B 4351/4885DYRK1A 4721/4885

“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.