SCHEMBL5579002

SCHEMBL5579002

CC(O)CN1CCC2(CC1)CN(C(=O)c1ccc(Cl)cc1)c1ccccc12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.59
HDAC6 Q9UBN7 6/20 0.59
NOTUM Q6P988 3/20 0.48
HDAC8 Q9BY41 1/20 0.48
SLC18A3 Q16572 3/20 0.43
SIGMAR1 Q99720 3/20 0.43
PDE4B Q07343 1/20 0.42

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
SCHEMBL5578983 0.89 HDAC1 (0.53) HDAC1HDAC6NOTUMHDAC8SLC18A3
SCHEMBL5578644 0.85 HDAC1 (0.49) HDAC1HDAC6NOTUMHDAC8SLC18A3
SCHEMBL5578634 0.81 NOTUM (0.48) HDAC1HDAC6NOTUMHDAC8SLC18A3
SCHEMBL5592353 0.81 HDAC1 (0.52) HDAC1HDAC6HDAC8PDE4B
SCHEMBL5578501 0.78 NOTUM (0.50) HDAC1HDAC6NOTUMHDAC8SLC18A3
SCHEMBL5579110 0.78 HDAC1 (0.49) HDAC1HDAC6NOTUMSLC18A3SIGMAR1
SCHEMBL17538386 0.71 NOTUM (0.74) HDAC1HDAC6NOTUMHDAC8SLC18A3
SCHEMBL5578763 0.71 HDAC1 (0.53) HDAC1HDAC6NOTUMSLC18A3SIGMAR1
SCHEMBL5578836 0.70 SMN1; SMN2 (0.57) HDAC1HDAC6
SCHEMBL30733409 0.70 HDAC1 (0.59) HDAC1HDAC6NOTUMHDAC8SIGMAR1

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 HDAC1 885/4885HDAC6 767/4885NOTUM 3318/4885

“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.