SCHEMBL5579022

SCHEMBL5579022

C=CCN1CCC2(CC1)CN(C(=O)c1c(F)cccc1F)c1ccc(F)cc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
SLC18A3 Q16572 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
RORC P51449 2/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL5579054 0.92 CYP2D6 (0.44) HDAC1HDAC6
SCHEMBL4890379 0.91 P2RX7 (0.39) SIGMAR1SLC18A3HDAC1HDAC6PTGDR2
SCHEMBL5578844 0.91 SIGMAR1 (0.38) SIGMAR1SLC18A3HDAC1HDAC6
SCHEMBL5578434 0.89 HDAC1 (0.46) SIGMAR1SLC18A3HDAC1HDAC6
SCHEMBL5578483 0.89 PTGDR2 (0.36) SIGMAR1SLC18A3HDAC1HDAC6PTGDR2
SCHEMBL5578688 0.89 HDAC1 (0.48) SIGMAR1SLC18A3HDAC1HDAC6PTGDR2
SCHEMBL5578712 0.88 HDAC1 (0.43) SIGMAR1SLC18A3HDAC1HDAC6PTGDR2
SCHEMBL5578516 0.88 SIGMAR1 (0.34) SIGMAR1HDAC1HDAC6RORC
SCHEMBL5578768 0.86 HDAC1 (0.41) HDAC1HDAC6LMNA
SCHEMBL5578726 0.86 CNR1 (0.38) SIGMAR1SLC18A3PTGDR2

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 5 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
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 444/4885SLC18A3 2869/4885HDAC1 885/4885

“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.