SCHEMBL5578562

SCHEMBL5578562

C=CCN1CCC2(CC1)CN(C(=O)c1ccc(Cl)nc1Cl)c1ccc(F)cc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
AKT1 P31749 1/20 0.32
AXL P30530 2/20 0.32
CSNK1D P48730 2/20 0.32
MERTK Q12866 2/20 0.32
FGFR1 P11362 1/20 0.32
KDR P35968 1/20 0.32
CYP2D6 P10635 1/20 0.32
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL5578793 0.89 NOTUM (0.35) NOTUMHDAC1HDAC6PTGDR2AKT1
SCHEMBL5578591 0.87 NOTUM (0.34) NOTUMHDAC1HDAC6AKT1
SCHEMBL5578444 0.86 HDAC1 (0.38) NOTUMHDAC1HDAC6PTGDR2AKT1
SCHEMBL5578483 0.86 PTGDR2 (0.36) NOTUMHDAC1HDAC6PTGDR2SIGMAR1
SCHEMBL5578766 0.84 HDAC1 (0.38) NOTUMHDAC1HDAC6SIGMAR1
SCHEMBL5579010 0.84 SMN1; SMN2 (0.39) NOTUMHDAC1HDAC6AKT1SIGMAR1
SCHEMBL5578731 0.83 NOTUM (0.35) NOTUMHDAC1HDAC6PTGDR2AKT1
SCHEMBL5578443 0.82 NOTUM (0.40) NOTUMHDAC1HDAC6PTGDR2SIGMAR1
SCHEMBL5578844 0.82 SIGMAR1 (0.38) HDAC1HDAC6SIGMAR1
SCHEMBL5578500 0.82 HDAC1 (0.43) NOTUMHDAC1HDAC6CYP2D6SIGMAR1

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 3318/4885HDAC1 885/4885HDAC6 767/4885

“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.