SCHEMBL5579118

SCHEMBL5579118

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
DRD2 P14416 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MGLL Q99685 2/20 0.35
ATM Q13315 1/20 0.35
XIAP P98170 2/20 0.35
BIRC2 Q13490 2/20 0.35
BACE1 P56817 1/20 0.35
ENPP2 Q13822 1/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
P2RX7 Q99572 1/20 0.35
SCN9A Q15858 1/20 0.34

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
SCHEMBL5578781 0.91 NOTUM (0.47) NOTUMPDCD1CD274MGLLATM
SCHEMBL5578496 0.89 NOTUM (0.46) NOTUMDRD2PTGDR2ATMXIAP
SCHEMBL5780997 0.86 NOTUM (0.44) NOTUMDRD2PTGDR2ATMXIAP
SCHEMBL5578707 0.85 NOTUM (0.43) NOTUMDRD2PTGDR2ATMHTT
SCHEMBL5578686 0.84 NOTUM (0.43) NOTUMDRD2PTGDR2ATMHTT
SCHEMBL5578536 0.84 NOTUM (0.43) NOTUMDRD2PTGDR2ATMHTT
SCHEMBL5579051 0.84 MEN1 (0.44) NOTUMDRD2
SCHEMBL5578750 0.83 NOTUM (0.47) NOTUMDRD2PTGDR2ATMXIAP
SCHEMBL5578519 0.82 KDM4E (0.50) NOTUMDRD2PTGDR2HTT
SCHEMBL5578732 0.82 DRD2 (0.48) NOTUMDRD2PTGDR2ATMP2RX7

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 4 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 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 3318/4885PDCD1 3389/4885CD274 3724/4885

“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.