SCHEMBL5530617

SCHEMBL5530617

Cc1nc(-c2ccc(N3CC(CN4CCN(C(=O)O)CC4)OC3=O)cc2)no1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.45
DGAT1 O75907 3/20 0.45
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
MGLL Q99685 1/20 0.43
THRB P10828 1/20 0.42

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
SCHEMBL7473955 0.89 MGLL (0.53) SIGMAR1DGAT1ITGB3ITGA2BMGLL
SCHEMBL7386854 0.88 DGAT1 (0.42) SIGMAR1DGAT1ITGB3ITGA2B
SCHEMBL5530623 0.88 SIGMAR1 (0.45) SIGMAR1DGAT1ITGB3ITGA2BTHRB
SCHEMBL7393385 0.88 SIGMAR1 (0.48) SIGMAR1DGAT1THRB
SCHEMBL7386012 0.87 LMNA (0.44) SIGMAR1DGAT1ITGB3ITGA2B
SCHEMBL7384950 0.86 FABP6 (0.46) SIGMAR1DGAT1ITGB3ITGA2BMGLL
SCHEMBL7387185 0.86 TSHR (0.50) SIGMAR1
SCHEMBL7387950 0.86 THRB (0.45) SIGMAR1ITGB3ITGA2BTHRB
SCHEMBL7387453 0.85 DGAT1 (0.44) SIGMAR1DGAT1ITGB3ITGA2B
SCHEMBL7393492 0.85 DGAT1 (0.44) SIGMAR1DGAT1ITGB3ITGA2B

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
US-20070259887-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2007-11-08 US claimed
EP-1416931-B1 INHIBITORS OF POLYQ-AGGREGATION MAX PLANCK GESELLSCHAFT (DE) 2007-06-13 EP claimed
US-20050124631-A1 Inhibitors of polyq-aggregation MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2005-06-09 US claimed
EP-1416931-A1 INHIBITORS OF POLYQ-AGGREGATION Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2004-05-12 EP claimed
WO-2003015772-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2003-02-27 WO claimed
US-20070259887-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2007-11-08 US disclosed
EP-1416931-B1 INHIBITORS OF POLYQ-AGGREGATION MAX PLANCK GESELLSCHAFT (DE) 2007-06-13 EP disclosed
US-20050124631-A1 Inhibitors of polyq-aggregation MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V. (DE) 2005-06-09 US disclosed
EP-1416931-A1 INHIBITORS OF POLYQ-AGGREGATION Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2004-05-12 EP disclosed
WO-2003015772-A1 INHIBITORS OF POLYQ-AGGREGATION MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2003-02-27 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-20070259887-A1 INHIBITORS OF POLYQ-AGGREGATION HTT, ATXN2, ATXN2L SIGMAR1 2409/4885DGAT1 4118/4885ITGB3 4807/4885
US-20050124631-A1 Inhibitors of polyq-aggregation HTT, ATXN2, ATXN2L SIGMAR1 2409/4885DGAT1 4118/4885ITGB3 4807/4885

“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.