SCHEMBL14366295

SCHEMBL14366295

Cc1ccc(C(=O)N2CC3(CCN(C4CCCC[C@@H]4O)CC3)c3ccccc32)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 5/20 0.54
SIGMAR1 Q99720 2/20 0.54
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HSP90AA1 P07900 1/20 0.45
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL14391887 1.00 SLC18A3 (0.54) SLC18A3SIGMAR1ALDH1A1SMN1; SMN2GAA
SCHEMBL5578861 1.00 SLC18A3 (0.54) SLC18A3SIGMAR1ALDH1A1SMN1; SMN2GAA
SCHEMBL5578858 1.00 SLC18A3 (0.54) SLC18A3SIGMAR1ALDH1A1SMN1; SMN2GAA
SCHEMBL5578856 1.00 SLC18A3 (0.54) SLC18A3SIGMAR1ALDH1A1SMN1; SMN2GAA
SCHEMBL5578832 0.85 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2GAAL3MBTL1HSP90AA1
SCHEMBL5578674 0.72 ALDH1A1 (0.43) SIGMAR1ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL14366294 0.69 SLC18A3 (0.39) SLC18A3ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL5578438 0.69 SLC18A3 (0.39) SLC18A3ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL5578440 0.69 SLC18A3 (0.39) SLC18A3ALDH1A1SMN1; SMN2GAAL3MBTL1
SCHEMBL14391914 0.69 SLC18A3 (0.39) SLC18A3ALDH1A1SMN1; SMN2GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 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 (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-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof REN, AVPR2, RECQL SLC18A3 2869/4885SIGMAR1 444/4885ALDH1A1 634/4885

“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.