SCHEMBL5578598

SCHEMBL5578598

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
DRD2 P14416 1/20 0.38
ATM Q13315 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
P2RX7 Q99572 1/20 0.35
HPGD P15428 1/20 0.34
IDO1 P14902 1/20 0.34
ENPP2 Q13822 2/20 0.33
XIAP P98170 1/20 0.33
BIRC2 Q13490 1/20 0.33
SCN9A Q15858 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL5578585 0.91 NOTUM (0.47) NOTUMDRD2HDAC1HDAC6IDO1
SCHEMBL5579121 0.85 DRD2 (0.45) NOTUMDRD2ATMPTGDR2P2RX7
SCHEMBL5578496 0.83 NOTUM (0.46) NOTUMDRD2ATMHDAC1HDAC6
SCHEMBL5578750 0.83 NOTUM (0.47) NOTUMDRD2ATMHDAC1HDAC6
SCHEMBL5578519 0.82 KDM4E (0.50) NOTUMDRD2HDAC1HDAC6PTGDR2
SCHEMBL5578732 0.82 DRD2 (0.48) NOTUMDRD2ATMPTGDR2P2RX7
SCHEMBL5579087 0.82 NOTUM (0.43) NOTUMDRD2PTGDR2
SCHEMBL5578564 0.82 DRD2 (0.47) NOTUMDRD2ATMPTGDR2P2RX7
SCHEMBL4893188 0.82 NOTUM (0.43) NOTUMDRD2ATMHDAC1HDAC6
SCHEMBL5578707 0.82 NOTUM (0.43) NOTUMDRD2ATMHDAC1HDAC6

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 3318/4885DRD2 126/4885ATM 2441/4885

“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.