SCHEMBL5578440

SCHEMBL5578440

Cc1ccc(C(=O)O[C@H]2CCCC[C@H]2N2CCC3(CC2)CNc2ccccc23)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 5/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 3/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
LMNA P02545 4/20 0.37
GAA P10253 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
HSP90AA1 P07900 1/20 0.36
THRB P10828 1/20 0.35
AVPR1A P37288 1/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.34
ALOX12 P18054 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5578438 1.00 SLC18A3 (0.39) SLC18A3SMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL5578442 1.00 SLC18A3 (0.39) SLC18A3SMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL14391914 1.00 SLC18A3 (0.39) SLC18A3SMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL14366294 1.00 SLC18A3 (0.39) SLC18A3SMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL5578861 0.69 SLC18A3 (0.54) SLC18A3SMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL14366295 0.69 SLC18A3 (0.54) SLC18A3SMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL5578856 0.69 SLC18A3 (0.54) SLC18A3SMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL14391887 0.69 SLC18A3 (0.54) SLC18A3SMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL5578858 0.69 SLC18A3 (0.54) SLC18A3SMN1; SMN2ALDH1A1HTTMAPT
SCHEMBL5578916 0.65 TSHR (0.50) SMN1; SMN2ALDH1A1HTTMAPTCES2

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 2 patents. 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 claimed
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 2869/4885SMN1; SMN2 236/4885ALDH1A1 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.