SCHEMBL5578587

SCHEMBL5578587

C=CCCN1CCC2(CC1)CN(C(=O)c1c(F)cccc1F)c1ccc(C(C)(C)C)cc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.36
BDKRB1 P46663 1/20 0.35
P2RY1 P47900 4/20 0.35
SLC18A3 Q16572 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RORC P51449 1/20 0.33
NOTUM Q6P988 1/20 0.33
EPHX2 P34913 1/20 0.33

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
SCHEMBL4890372 0.90 P2RY1 (0.37) SIGMAR1P2RY1SLC18A3HDAC1HDAC6
SCHEMBL5578467 0.88 SIGMAR1 (0.38) SIGMAR1BDKRB1SLC18A3HDAC1HDAC6
SCHEMBL4893251 0.87 P2RY1 (0.36) SIGMAR1P2RY1SLC18A3HDAC1HDAC6
SCHEMBL5578980 0.86 NOTUM (0.46) SIGMAR1BDKRB1HDAC1HDAC6RORC
Trifluoroacetic Acid SCHEMBL4762245 0.86 P2RY1 (0.37) SIGMAR1P2RY1SLC18A3HDAC1HDAC6
SCHEMBL5578567 0.86 SIGMAR1 (0.36) SIGMAR1BDKRB1SLC18A3HDAC1HDAC6
SCHEMBL5578891 0.85 SIGMAR1 (0.39) SIGMAR1BDKRB1SLC18A3HDAC1HDAC6
Trifluoroacetic Acid SCHEMBL4761896 0.84 OPRM1 (0.36) SIGMAR1P2RY1SLC18A3HDAC1HDAC6
SCHEMBL4821789 0.84 P2RY1 (0.39) P2RY1HDAC1HDAC6RORCNOTUM
SCHEMBL5578757 0.83 SIGMAR1 (0.38) SIGMAR1BDKRB1SLC18A3HDAC1HDAC6

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-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US claimed
EP-1716148-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF Arena Pharmaceuticals, Inc. (US) 2006-11-02 EP claimed
WO-2005063745-A2 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2005-07-14 WO claimed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
US-20070254903-A1 Novel Spiroindoline or Spiroisoquinoline Compounds, Methods of Use and Compositions Thereof ARENA PHARMACEUTICALS, INC. (US) 2007-11-01 US disclosed
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 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 (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 SIGMAR1 444/4885BDKRB1 76/4885P2RY1 423/4885

“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.