SCHEMBL5578731

SCHEMBL5578731

C=CCN1CCC2(CC1)CN(C(=O)c1cc(Cl)sc1Cl)c1ccc(F)cc12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
AKT1 P31749 1/20 0.33
SIGMAR1 Q99720 2/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
GSK3B P49841 1/20 0.32
SLC18A3 Q16572 1/20 0.32

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
SCHEMBL5578903 0.87 NPC1 (0.38) NOTUMRAB9AHDAC1HDAC6PTGDR2
SCHEMBL5578766 0.85 HDAC1 (0.38) NOTUMHDAC1HDAC6SIGMAR1SLC18A3
SCHEMBL5578483 0.85 PTGDR2 (0.36) NOTUMHDAC1HDAC6PTGDR2SIGMAR1
SCHEMBL5578443 0.83 NOTUM (0.40) NOTUMHDAC1HDAC6PTGDR2SIGMAR1
SCHEMBL5578500 0.83 HDAC1 (0.43) NOTUMHDAC1HDAC6SIGMAR1KMT2A
SCHEMBL5578844 0.83 SIGMAR1 (0.38) HTTHDAC1HDAC6SIGMAR1SLC18A3
SCHEMBL5578793 0.83 NOTUM (0.35) NOTUMHDAC1HDAC6PTGDR2AKT1
SCHEMBL5578562 0.83 NOTUM (0.35) NOTUMHDAC1HDAC6PTGDR2AKT1
SCHEMBL5578712 0.83 HDAC1 (0.43) NOTUMHDAC1HDAC6PTGDR2SIGMAR1
SCHEMBL5578591 0.82 NOTUM (0.34) NOTUMHDAC1HDAC6AKT1KMT2A

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 NOTUM 3318/4885MAPK1 2772/4885HTT 1591/4885

“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.