SCHEMBL5578686

SCHEMBL5578686

O=C(CN1CCC2(CC1)CN(C(=O)c1cccc(F)c1F)c1ccc(Cl)cc12)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
DRD2 P14416 1/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.39
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.38
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5578707 0.96 NOTUM (0.43) NOTUMHDAC1HDAC6DRD2PTGDR2
SCHEMBL5578546 0.91 NOTUM (0.46) NOTUMHDAC1HDAC6DRD2ALDH1A1
SCHEMBL5579051 0.90 MEN1 (0.44) NOTUMDRD2ALDH1A1L3MBTL1KDM4E
SCHEMBL5578536 0.88 NOTUM (0.43) NOTUMHDAC1HDAC6DRD2PTGDR2
SCHEMBL5578496 0.87 NOTUM (0.46) NOTUMHDAC1HDAC6DRD2PTGDR2
SCHEMBL5578755 0.86 NOTUM (0.47) NOTUMHDAC1HDAC6DRD2ALDH1A1
SCHEMBL5780997 0.84 NOTUM (0.44) NOTUMDRD2PTGDR2ATM
SCHEMBL5579118 0.84 NOTUM (0.44) NOTUMDRD2PTGDR2ATMHTT
SCHEMBL5578519 0.84 KDM4E (0.50) NOTUMHDAC1HDAC6DRD2PTGDR2
SCHEMBL5578732 0.84 DRD2 (0.48) NOTUMDRD2PTGDR2ATM

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.