SCHEMBL5376196

SCHEMBL5376196

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SIGMAR1 Q99720 2/20 0.32
LMNA P02545 1/20 0.31
PTGS2 P35354 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
SCHEMBL12156565 0.87 TACR1 (0.36) TACR1SMN1; SMN2KDM4EALDH1A1SIGMAR1
SCHEMBL12156552 0.87 TACR1 (0.36) TACR1SMN1; SMN2KDM4EALDH1A1SIGMAR1
SCHEMBL18120978 0.86 PTGS2 (0.36) SMN1; SMN2ALDH1A1SIGMAR1LMNAPTGS2
SCHEMBL70778 0.78 TSHR (0.46) SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL12379861 0.78 TSHR (0.46) SMN1; SMN2KDM4EALDH1A1LMNA
SCHEMBL1133592 0.78
SCHEMBL18573949 0.78 SIGMAR1 (0.49) TACR1SMN1; SMN2KDM4EALDH1A1SIGMAR1
SCHEMBL25981963 0.77 ALDH1A1 (0.39) TACR1SMN1; SMN2KDM4EALDH1A1SIGMAR1
SCHEMBL20031882 0.76 TACR1 (0.35) TACR1SMN1; SMN2KDM4EALDH1A1SIGMAR1
SCHEMBL17706710 0.75 L3MBTL1 (0.43) SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226578-B2 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis SHERING AG (DE) 2007-06-05 US disclosed
US-6916461-B2 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis SCHERING AG (DE) 2005-07-12 US disclosed
US-20050147563-A1 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-07-07 US disclosed
US-20030232012-A1 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis SCHERING AG (DE) 2003-12-18 US disclosed
US-6468502-B1 PARAMAGNETIC MACROMOLECULES WITH HIGHER PROTON RELAXIVITY; LOWER DOSAGE AND INCREASED SIGNAL INTENSITY; DETECTING VASCULAR DISEASES; DIFFERENTIATING TISSUE BLOOD SUPPLY LEVELS; DISTINGUISHING MYOCARDIAL INFARCTION FROM ISCHEMIA SCHERING AKTIENGESELLSCHAFT (DE) 2002-10-22 US disclosed
EP-0874645-B1 PERFLUOROALKYL-CONTAINING METAL COMPLEXES AND THEIR USE IN NMR DIAGNOSTICS SCHERING AG (DE) 2002-04-03 EP disclosed
EP-0882010-B1 PHARMACEUTICAL AGENTS CONTAINING PERFLUOROALKYL-CONTAINING METAL COMPLEXES AND THE USE THEREOF IN TUMOUR THERAPY AND INTERVENTIONAL RADIOLOGY SCHERING AG (DE) 2001-05-02 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 (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-20050147563-A1 Metal complexes that contain perfluoroalkyl, process for their production and their use in NMR diagnosis FABP1, FLOT1, AFF1 TACR1 2193/4885SMN1; SMN2 3273/4885KDM4E 4553/4885

“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.