SCHEMBL5578441

SCHEMBL5578441

CC(C)(C)C(=O)CN1CCC2(CC1)CN(C(=O)c1c(F)cccc1F)c1ccc(Cl)cc12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.48
EPHX2 P34913 2/20 0.38
XIAP P98170 3/20 0.38
BIRC2 Q13490 3/20 0.38
RORC P51449 2/20 0.38
DRD2 P14416 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
P2RY1 P47900 2/20 0.35
DRD4 P21917 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
SCHEMBL5578912 0.88 NOTUM (0.49) NOTUMEPHX2XIAPBIRC2RORC
SCHEMBL5578755 0.86 NOTUM (0.47) NOTUMEPHX2RORCDRD2HDAC1
SCHEMBL5578781 0.85 NOTUM (0.47) NOTUMEPHX2XIAPBIRC2RORC
SCHEMBL5578845 0.85 NOTUM (0.46) NOTUMEPHX2XIAPBIRC2RORC
SCHEMBL5578546 0.85 NOTUM (0.46) NOTUMEPHX2RORCDRD2HDAC1
SCHEMBL5578802 0.85 NOTUM (0.51) NOTUMEPHX2XIAPBIRC2RORC
SCHEMBL5578616 0.84 NOTUM (0.46) NOTUMDRD2HDAC1HDAC6P2RY1
SCHEMBL4884630 0.84 NOTUM (0.47) NOTUMEPHX2RORCDRD2HDAC1
SCHEMBL5578710 0.83 KDM4E (0.48) NOTUMHDAC1HDAC6
SCHEMBL5780997 0.82 NOTUM (0.44) NOTUMEPHX2XIAPBIRC2RORC

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 6 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
WO-2005063745-A9 NOVEL SPIROINDOLINE OR SPIROISOQUINOLINE COMPOUNDS, METHODS OF USE AND COMPOSITIONS THEREOF ARENA PHARM INC (US) 2007-02-01 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 NOTUM 3318/4885EPHX2 157/4885XIAP 731/4885

“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.