SCHEMBL5578732

SCHEMBL5578732

NCCCN1CCC2(CC1)CN(C(=O)c1cccc(F)c1F)c1ccc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.48
NOTUM Q6P988 1/20 0.44
ATM Q13315 1/20 0.37
SLC18A3 Q16572 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
P2RX7 Q99572 1/20 0.36
HPGD P15428 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
SCHEMBL5578564 0.97 DRD2 (0.47) DRD2NOTUMATMSLC18A3SIGMAR1
SCHEMBL5820469 0.91 DRD2 (0.47) DRD2NOTUMATMSLC18A3SIGMAR1
SCHEMBL5579075 0.90 DRD2 (0.45) DRD2NOTUMATMSLC18A3SIGMAR1
SCHEMBL5579121 0.90 DRD2 (0.45) DRD2NOTUMATMSLC18A3SIGMAR1
SCHEMBL4893188 0.88 NOTUM (0.43) DRD2NOTUMATMPTGDR2P2RX7
SCHEMBL5578890 0.87 DRD2 (0.46) DRD2NOTUM
SCHEMBL5578852 0.87 DRD2 (0.48) DRD2NOTUM
SCHEMBL5578519 0.85 KDM4E (0.50) DRD2NOTUMSIGMAR1PTGDR2
SCHEMBL5579087 0.85 NOTUM (0.43) DRD2NOTUMSIGMAR1PTGDR2
SCHEMBL5578707 0.85 NOTUM (0.43) DRD2NOTUMATMSLC18A3SIGMAR1

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 8 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
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 DRD2 126/4885NOTUM 3318/4885ATM 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.